Preview

calculations
- 3C-SiC
  - epw-elph-CPU
    - epw.in
      
      2.3 kB
    - epw.out.n_T300K_mK120-Q120_1e15_constant_degauss_0.01_kq
      
      9.4 kB
    - epw.out.n_T300K_mK120-Q120_1e15_constant_degauss_0.01_qk
      
      13.7 kB
    - epw.out.n_T300K_mK250-Q250_1e15_constant_degauss_0.01_kq
      
      9.7 kB
    - epw.out.p_T300K_mK120-Q120_1e15_constant_degauss_0.01_kq
      
      9.4 kB
    - epw.out.p_T300K_mK120-Q120_1e15_constant_degauss_0.01_qk
      
      25.3 kB
    - epw.out.p_T300K_mK250-Q250_1e15_constant_degauss_0.01_kq
      
      10.2 kB
    - n_T300K_mK120-Q120_1e15_constant_degauss_0.01_kq
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        20.6 kB
    - n_T300K_mK120-Q120_1e15_constant_degauss_0.01_qk
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        20.6 kB
    - n_T300K_mK250-Q250_1e15_constant_degauss_0.01_kq
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        157.0 kB
    - p_T300K_mK120-Q120_1e15_constant_degauss_0.01_kq
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        146.9 kB
    - p_T300K_mK120-Q120_1e15_constant_degauss_0.01_qk
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        146.9 kB
    - p_T300K_mK250-Q250_1e15_constant_degauss_0.01_kq
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        1.2 MB
    - pseudo
      - C_ONCV_PZ-1.0_r.oncvpsp.upf
        
        194.8 kB
      - Si_ONCV_PZ-1.1_r.oncvpsp.upf
        
        255.4 kB
    - sic.ukk
      
      941.5 kB
    - sic.win
      
      3.1 kB
    - sic.wout
      
      2.2 MB
  - epw-elph-GPU
    - CONTROL
      
      404 Bytes
    - epw.in
      
      2.1 kB
    - epw.out.n_T300K_mK250-Q250_1e15_constant_degauss_0.01_Et0.2_gpu
      
      18.2 kB
    - epw.out.n_T300K_mK250-Q250_1e15_constant_degauss_0.01_Et0.4_gpu
      
      19.4 kB
    - epw.out.n_T300K_mK250-Q250_1e15_constant_degauss_0.01_gpu
      
      18.8 kB
    - epw.out.p_T300K_mK250-Q250_1e15_constant_degauss_0.01_Et0.2_gpu
      
      22.9 kB
    - epw.out.p_T300K_mK250-Q250_1e15_constant_degauss_0.01_Et0.4_gpu
      
      31.4 kB
    - epw.out.p_T300K_mK250-Q250_1e15_constant_degauss_0.01_gpu
      
      26.9 kB
    - n_T300K_mK250-Q250_1e15_constant_degauss_0.01_Et0.2_gpu
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        87.9 kB
    - n_T300K_mK250-Q250_1e15_constant_degauss_0.01_Et0.4_gpu
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        243.0 kB
    - n_T300K_mK250-Q250_1e15_constant_degauss_0.01_gpu
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        157.0 kB
    - p_T300K_mK250-Q250_1e15_constant_degauss_0.01_Et0.2_gpu
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        673.9 kB
    - p_T300K_mK250-Q250_1e15_constant_degauss_0.01_Et0.4_gpu
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        1.7 MB
    - p_T300K_mK250-Q250_1e15_constant_degauss_0.01_gpu
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        1.2 MB
    - pseudo
      - C_ONCV_PZ-1.0_r.oncvpsp.upf
        
        194.8 kB
      - Si_ONCV_PZ-1.1_r.oncvpsp.upf
        
        255.4 kB
  - phonon-nq666
    - ifc.q2r
      
      258.0 kB
    - ph.in
      
      162 Bytes
    - pseudo
      - C_ONCV_PZ-1.0_r.oncvpsp.upf
        
        194.8 kB
      - Si_ONCV_PZ-1.1_r.oncvpsp.upf
        
        255.4 kB
    - scf.in
      
      828 Bytes
    - scf.out
      
      11.4 kB
  - wann-nk666
    - nscf.in
      
      12.1 kB
    - nscf.out
      
      6.9 kB
    - pseudo
      - C_ONCV_PZ-1.0_r.oncvpsp.upf
        
        194.8 kB
      - Si_ONCV_PZ-1.1_r.oncvpsp.upf
        
        255.4 kB
    - readme.txt
      
      105 Bytes
    - scf.in
      
      825 Bytes
    - scf.out
      
      11.4 kB
- Al
  - BTE4ELPH
    - CPU_vs_GPU
      - 100
        
        cpu
        
        E12n1
        
        BTE.sigmavsT_ITER
        
        71 Bytes
        
        BTE.sigmavsT_MRTA
        
        71 Bytes
        
        BTE.sigmavsT_RTA
        
        71 Bytes
        
        BTE.sr.T300K
        
        150.9 kB
        
        epw.in
        
        2.6 kB
        
        epw.out
        
        45.9 kB
        
        inputs
        
        CONTROL
        
        433 Bytes
        
        run.sh
        
        442 Bytes
        
        gpu
        
        CONTROL
        
        476 Bytes
        
        E12n1
        
        BTE.sigmavsT_ITER
        
        71 Bytes
        
        BTE.sigmavsT_MRTA
        
        0 Bytes
        
        BTE.sigmavsT_RTA
        
        71 Bytes
        
        BTE.sr.T300K
        
        150.9 kB
        
        epw.in
        
        2.6 kB
        
        epw.out
        
        15.6 kB
        
        iter.dat
        
        330 Bytes
      - 150
        
        cpu
        
        CONTROL
        
        408 Bytes
        
        E12n1
        
        BTE.sigmavsT_ITER
        
        71 Bytes
        
        BTE.sigmavsT_MRTA
        
        71 Bytes
        
        BTE.sigmavsT_RTA
        
        71 Bytes
        
        BTE.sr.T300K
        
        494.7 kB
        
        epw.in
        
        2.6 kB
        
        epw.out
        
        125.3 kB
        
        run.sh
        
        442 Bytes
        
        gpu
        
        CONTROL
        
        476 Bytes
        
        E12n1
        
        BTE.sigmavsT_ITER
        
        71 Bytes
        
        BTE.sigmavsT_MRTA
        
        0 Bytes
        
        BTE.sigmavsT_RTA
        
        71 Bytes
        
        BTE.sr.T300K
        
        494.8 kB
        
        epw.in
        
        2.6 kB
        
        epw.out
        
        18.4 kB
      - time
        
        CPU
        
        kbatch
        
        E12n1
        
        BTE.sigmavsT_ITER
        
        71 Bytes
        
        BTE.sigmavsT_MRTA
        
        71 Bytes
        
        BTE.sigmavsT_RTA
        
        71 Bytes
        
        BTE.sr.T300K
        
        1.7 MB
        
        epw.in
        
        2.6 kB
        
        epw.out
        
        293.8 kB
        
        qbatch
        
        CONTROL
        
        430 Bytes
        
        E12n1
        
        BTE.sigmavsT_ITER
        
        71 Bytes
        
        BTE.sigmavsT_MRTA
        
        71 Bytes
        
        BTE.sigmavsT_RTA
        
        71 Bytes
        
        BTE.sr.T300K
        
        1.7 MB
        
        epw.in
        
        2.6 kB
        
        epw.out
        
        9.4 kB
        
        GPU
        
        CONTROL
        
        401 Bytes
        
        E12n1
        
        BTE.sigmavsT_ITER
        
        71 Bytes
        
        BTE.sigmavsT_MRTA
        
        0 Bytes
        
        BTE.sigmavsT_RTA
        
        71 Bytes
        
        BTE.sr.T300K
        
        1.7 MB
        
        epw.in
        
        2.6 kB
        
        epw.out
        
        28.1 kB
    - batchsize
      - batchsize.dat
        
        708 Bytes
    - convergence
      - conv_100K_cg0.0001.dat
        
        831 Bytes
      - conv_100K_cg0.0005.dat
        
        621 Bytes
      - conv_100K_cg0.001.dat
        
        621 Bytes
      - conv_100K_cg0.005.dat
        
        411 Bytes
      - conv_100K_cg0.01.dat
        
        411 Bytes
      - conv_300K_cg_0.0005.dat
        
        621 Bytes
      - conv_300K_cg_0.001.dat
        
        621 Bytes
      - conv_300K_cg_0.005.dat
        
        411 Bytes
      - conv_300K_cg_0.01.dat
        
        621 Bytes
      - conv_50K_cg0.0001.dat
        
        621 Bytes
      - conv_50K_cg0.0005.dat
        
        621 Bytes
      - conv_50K_cg0.001.dat
        
        621 Bytes
      - conv_50K_cg0.005.dat
        
        621 Bytes
      - conv_50K_cg0.01.dat
        
        621 Bytes
    - delta_cutoff
      - Cond.dat
        
        710 Bytes
      - Nscatt.dat
        
        360 Bytes
      - Wall_Time.dat
        
        330 Bytes
      - conv.dat
        
        763 Bytes
      - plot.gnu
        
        1.2 kB
  - EPW
    - epw
      - epw.in
        
        1.6 kB
      - epw.out-T100-T500
        
        65.8 kB
      - epw.out.100
        
        50.1 kB
      - epw.out.100.noiter
        
        22.3 kB
      - epw.out.60
        
        56.7 kB
      - nscf.in
        
        27.2 kB
      - scf.in
        
        556 Bytes
    - phonon
      - ph.in
        
        181 Bytes
      - ph.out
        
        324.6 kB
  - PERTURBO
    - bands
      - bands.in
        
        133 Bytes
      - plot.gnu
        
        92 Bytes
      - pwbands.in
        
        747 Bytes
      - scf.in
        
        553 Bytes
    - perturbo
      - NKQ100
        
        Al.cond
        
        5.7 kB
        
        Al.doping
        
        444 Bytes
        
        Al.imsigma
        
        5.5 MB
        
        Al.imsigma.300K
        
        1.1 MB
        
        Al.temper
        
        242 Bytes
        
        imsigma.in
        
        247 Bytes
        
        imsigma.out
        
        1.3 kB
        
        setup.in
        
        238 Bytes
        
        setup.out
        
        800 Bytes
        
        trans.in
        
        264 Bytes
        
        trans.out
        
        2.4 kB
      - NKQ200
        
        Al.cond
        
        928 Bytes
        
        Al.temper
        
        58 Bytes
        
        imsigma.in
        
        247 Bytes
        
        imsigma.out
        
        1.4 kB
        
        pert.out
        
        800 Bytes
        
        setup.in
        
        238 Bytes
        
        setup.out
        
        800 Bytes
        
        trans.in
        
        263 Bytes
        
        trans.out
        
        893 Bytes
      - pert
        
        Al.cond
        
        1.7 kB
        
        Al.doping
        
        212 Bytes
        
        Al.dos
        
        16.1 kB
        
        Al.imsigma
        
        918.9 kB
        
        Al.temper
        
        58 Bytes
        
        imsigma.in
        
        247 Bytes
        
        imsigma.out
        
        1.3 kB
        
        relaxation_time.dat
        
        1.3 MB
        
        run.sh
        
        218 Bytes
        
        setup.in
        
        238 Bytes
        
        setup.out
        
        746 Bytes
        
        trans.in
        
        264 Bytes
        
        trans.out
        
        2.4 kB
    - phonon
      - input_tmp.in
        
        193 Bytes
      - ph-collect.sh
        
        423 Bytes
      - ph.in
        
        195 Bytes
      - phdos.in
        
        131 Bytes
      - pp.py
        
        943 Bytes
      - q2r.in
        
        75 Bytes
      - scf.in
        
        528 Bytes
    - pp
      - Al.pw-mt_fhi.UPF
        
        168.5 kB
    - qe2pert
      - qe2pert.in
        
        161 Bytes
    - scf
      - nscf.in
        
        27.2 kB
      - scf.in
        
        553 Bytes
    - w90
      - Al.win
        
        20.5 kB
      - nscf.in
        
        27.2 kB
      - pw2wan.in
        
        105 Bytes
      - scf.in
        
        556 Bytes
  - compare
    - Al.imsigma
      
      918.9 kB
    - BTE.sr.T300K
      
      224.4 kB
    - BTE4elph.dat
      
      150.9 kB
    - BTE_4elph.cond
      
      355 Bytes
    - EPW_100kq.cond
      
      498 Bytes
    - EPW_60kq.cond
      
      481 Bytes
    - Pert.cond
      
      743 Bytes
    - Sr_epw_kq60_T300K.dat
      
      667.8 kB
    - plot_SR.gnu
      
      401 Bytes
    - plot_cond.gnu
      
      851 Bytes
    - relaxation_time.dat
      
      1.3 MB
  - pp
    - Al.pw-mt_fhi.UPF
      
      168.5 kB
- As
  - epw-elph-CPU
    - epw.in
      
      2.0 kB
    - epw.out.m_T300K_mK150-Q150_constant_degauss_0.01_kq
      
      9.9 kB
    - epw.out.m_T300K_mK150-Q150_constant_degauss_0.01_qk
      
      98.5 kB
    - epw.out.m_T300K_mK250-Q250_constant_degauss_0.01_kq
      
      12.6 kB
    - m_T300K_mK150-Q150_constant_degauss_0.01_kq
      - E12n1
        
        BTE.sigmavsT_ITER
        
        71 Bytes
        
        BTE.sigmavsT_RTA
        
        71 Bytes
        
        BTE.sr.T300K
        
        1.9 MB
    - m_T300K_mK150-Q150_constant_degauss_0.01_qk
      - E12n1
        
        BTE.sigmavsT_ITER
        
        71 Bytes
        
        BTE.sigmavsT_RTA
        
        71 Bytes
        
        BTE.sr.T300K
        
        1.9 MB
    - m_T300K_mK250-Q250_constant_degauss_0.01_kq
      - E12n1
        
        BTE.sigmavsT_ITER
        
        71 Bytes
        
        BTE.sigmavsT_RTA
        
        71 Bytes
        
        BTE.sr.T300K
        
        8.9 MB
  - epw-elph-GPU
    - epw.in
      
      2.0 kB
    - epw.out.m_T300K_mK250-Q250_constant_degauss_0.01_gpu
      
      86.6 kB
    - m_T300K_mK250-Q250_constant_degauss_0.01_gpu
      - E12n1
        
        BTE.sigmavsT_ITER
        
        71 Bytes
        
        BTE.sigmavsT_RTA
        
        71 Bytes
        
        BTE.sr.T300K
        
        8.9 MB
    - pseudo
      - As_ONCV_PBE_sr.upf
        
        199.8 kB
  - phonon-nq555
    - mat.in
      
      258 Bytes
    - mat.out
      
      1.6 kB
    - ph.out.1
      
      16.5 kB
    - ph.out.10
      
      20.2 kB
    - ph.out.11
      
      25.7 kB
    - ph.out.12
      
      24.4 kB
    - ph.out.13
      
      24.8 kB
    - ph.out.14
      
      25.8 kB
    - ph.out.15
      
      25.9 kB
    - ph.out.16
      
      26.1 kB
    - ph.out.17
      
      24.4 kB
    - ph.out.18
      
      21.0 kB
    - ph.out.19
      
      24.9 kB
    - ph.out.2
      
      25.4 kB
    - ph.out.3
      
      25.6 kB
    - ph.out.4
      
      25.6 kB
    - ph.out.5
      
      26.6 kB
    - ph.out.6
      
      25.9 kB
    - ph.out.7
      
      23.8 kB
    - ph.out.8
      
      24.5 kB
    - ph.out.9
      
      23.6 kB
    - pseudo
      - As_ONCV_PBE_sr.upf
        
        199.8 kB
    - q2r.in
      
      62 Bytes
    - q2r.out
      
      7.4 kB
    - scf.in
      
      760 Bytes
    - scf.out
      
      10.2 kB
  - wann-nk101010
    - As.win
      
      39.0 kB
    - As.wout
      
      2.8 MB
    - bands.in
      
      57 Bytes
    - bands.out
      
      1.7 MB
    - nscf.in
      
      52.7 kB
    - nscf.out
      
      6.6 kB
    - pseudo
      - As_ONCV_PBE_sr.upf
        
        199.8 kB
    - pw2wan.in
      
      225 Bytes
    - pw2wan.out
      
      19.7 kB
    - pwbands.in
      
      875 Bytes
    - pwbands.out
      
      6.5 kB
    - scf.in
      
      760 Bytes
    - scf.out
      
      10.2 kB
- Be
  - epw-elph-CPU
    - Be.win
      
      173 Bytes
    - Be.wout
      
      794.8 kB
    - epw.in
      
      1.7 kB
    - epw.out.m_T300K_mK150-Q150_constant_degauss_0.01_kq
      
      8.9 kB
    - epw.out.m_T300K_mK150-Q150_constant_degauss_0.01_qk
      
      71.8 kB
    - epw.out.m_T300K_mK250-Q250_constant_degauss_0.01_kq
      
      9.8 kB
    - m_T300K_mK150-Q150_constant_degauss_0.01_kq
      - E12n1
        
        BTE.sigmavsT_ITER
        
        71 Bytes
        
        BTE.sigmavsT_RTA
        
        71 Bytes
        
        BTE.sr.T300K
        
        559.1 kB
    - m_T300K_mK150-Q150_constant_degauss_0.01_qk
      - E12n1
        
        BTE.sigmavsT_ITER
        
        71 Bytes
        
        BTE.sigmavsT_RTA
        
        71 Bytes
        
        BTE.sr.T300K
        
        559.1 kB
    - m_T300K_mK250-Q250_constant_degauss_0.01_kq
      - E12n1
        
        BTE.sigmavsT_ITER
        
        71 Bytes
        
        BTE.sigmavsT_RTA
        
        71 Bytes
        
        BTE.sr.T300K
        
        2.5 MB
    - pseudo
      - Be.pz-n-vbc.UPF
        
        21.5 kB
  - epw-elph-GPU
    - epw.in
      
      1.7 kB
    - epw.out.m_T300K_mK250-Q250_constant_degauss_0.01_gpu
      
      36.9 kB
    - m_T300K_mK250-Q250_constant_degauss_0.01_gpu
      - E12n1
        
        BTE.sigmavsT_ITER
        
        71 Bytes
        
        BTE.sigmavsT_RTA
        
        71 Bytes
        
        BTE.sr.T300K
        
        2.5 MB
    - pseudo
      - Be.pz-n-vbc.UPF
        
        21.5 kB
  - phonon-nq664
    - matdyn.in
      
      375 Bytes
    - matdyn.out
      
      1.8 kB
    - ph.in
      
      178 Bytes
    - ph.out
      
      276.6 kB
    - q2r.in
      
      81 Bytes
    - q2r.out
      
      8.4 kB
    - scf.in
      
      516 Bytes
    - scf.out
      
      27.3 kB
  - wann-nk664
    - Be.win_from_epw
      
      173 Bytes
    - Be.wout_from_epw
      
      794.8 kB
    - nscf.in
      
      12.8 kB
    - nscf.out
      
      6.6 kB
    - readme.txt
      
      105 Bytes
    - scf.in
      
      540 Bytes
    - scf.out
      
      32.8 kB
- GaAs
  - GaAs_n_deltacut_test_gpu
    - Cond.dat
      
      1.6 kB
    - Nscatt.dat
      
      380 Bytes
    - Wall_Time.dat
      
      520 Bytes
    - conv.dat
      
      681 Bytes
  - epw-elph-CPU
    - epw.in
      
      1.6 kB
    - epw.out.n_T300K_mK150-Q150_1e15_constant_degauss_0.01_kq
      
      9.6 kB
    - epw.out.n_T300K_mK150-Q150_1e15_constant_degauss_0.01_qk
      
      14.2 kB
    - epw.out.n_T300K_mK300-Q300_1e15_constant_degauss_0.01_kq
      
      9.7 kB
    - epw.out.p_T300K_mK150-Q150_1e15_constant_degauss_0.01_kq
      
      9.5 kB
    - epw.out.p_T300K_mK150-Q150_1e15_constant_degauss_0.01_qk
      
      23.3 kB
    - epw.out.p_T300K_mK250-Q250_1e15_constant_degauss_0.01_kq
      
      9.7 kB
    - gaas.ukk
      
      1.1 MB
    - gaas.win
      
      181 Bytes
    - gaas.wout
      
      828.8 kB
    - n_T300K_mK150-Q150_1e15_constant_degauss_0.01_kq
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        9.7 kB
    - n_T300K_mK150-Q150_1e15_constant_degauss_0.01_qk
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        9.7 kB
    - n_T300K_mK300-Q300_1e15_constant_degauss_0.01_kq
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        58.1 kB
    - nscf.in
      
      18.9 kB
    - nscf.out
      
      7.0 kB
    - p_T300K_mK150-Q150_1e15_constant_degauss_0.01_kq
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        183.2 kB
    - p_T300K_mK150-Q150_1e15_constant_degauss_0.01_qk
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        183.2 kB
    - p_T300K_mK250-Q250_1e15_constant_degauss_0.01_kq
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        770.2 kB
    - scf.in
      
      569 Bytes
    - scf.out
      
      10.1 kB
  - epw-elph-GPU
    - CONTROL
      
      372 Bytes
    - epw.in
      
      1.5 kB
    - epw.out.n_T300K_mK300-Q300_1e15_constant_degauss_0.01_Et0.2_gpu
      
      17.9 kB
    - epw.out.n_T300K_mK300-Q300_1e15_constant_degauss_0.01_Et0.4_gpu
      
      19.8 kB
    - epw.out.n_T300K_mK300-Q300_1e15_constant_degauss_0.01_gpu
      
      18.5 kB
    - epw.out.p_T300K_mK250-Q250_1e15_constant_degauss_0.01_Et0.2_gpu
      
      19.9 kB
    - epw.out.p_T300K_mK250-Q250_1e15_constant_degauss_0.01_Et0.4_gpu
      
      26.2 kB
    - epw.out.p_T300K_mK250-Q250_1e15_constant_degauss_0.01_gpu
      
      22.8 kB
    - n_T300K_mK300-Q300_1e15_constant_degauss_0.01_Et0.2_gpu
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        9.7 kB
    - n_T300K_mK300-Q300_1e15_constant_degauss_0.01_Et0.4_gpu
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        215.7 kB
    - n_T300K_mK300-Q300_1e15_constant_degauss_0.01_gpu
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        58.1 kB
    - p_T300K_mK250-Q250_1e15_constant_degauss_0.01_Et0.2_gpu
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        420.3 kB
    - p_T300K_mK250-Q250_1e15_constant_degauss_0.01_Et0.4_gpu
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        1.2 MB
    - p_T300K_mK250-Q250_1e15_constant_degauss_0.01_gpu
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        770.2 kB
  - phonon-nq666
    - espresso.fc
      
      258.0 kB
    - matdyn.in
      
      5.9 kB
    - ph.in
      
      167 Bytes
    - q2r.in
      
      85 Bytes
    - scf.in
      
      566 Bytes
    - scf.out
      
      10.1 kB
  - pp
    - As.pz-hgh.UPF
      
      386.6 kB
    - Ga.pz-hgh.UPF
      
      385.3 kB
  - wann-nk666
    - nscf.in
      
      18.9 kB
    - nscf.out
      
      7.0 kB
    - readme.txt
      
      105 Bytes
    - scf.in
      
      569 Bytes
    - scf.out
      
      10.1 kB
- Mo
  - epw-elph-CPU
    - epw.in
      
      2.0 kB
    - epw.out.m_T300K_mK120-Q120_constant_degauss_0.01_kq
      
      8.8 kB
    - epw.out.m_T300K_mK120-Q120_constant_degauss_0.01_qk
      
      72.2 kB
    - epw.out.m_T300K_mK150-Q150_constant_degauss_0.01_kq
      
      9.3 kB
    - m_T300K_mK120-Q120_constant_degauss_0.01_kq
      - E12n1
        
        BTE.sigmavsT_ITER
        
        71 Bytes
        
        BTE.sigmavsT_RTA
        
        71 Bytes
        
        BTE.sr.T300K
        
        572.1 kB
    - m_T300K_mK120-Q120_constant_degauss_0.01_qk
      - E12n1
        
        BTE.sigmavsT_ITER
        
        71 Bytes
        
        BTE.sigmavsT_RTA
        
        71 Bytes
        
        BTE.sr.T300K
        
        572.1 kB
    - m_T300K_mK150-Q150_constant_degauss_0.01_kq
      - E12n1
        
        BTE.sigmavsT_ITER
        
        71 Bytes
        
        BTE.sigmavsT_RTA
        
        71 Bytes
        
        BTE.sr.T300K
        
        1.1 MB
    - pp
      - Mo.pbe-mt_fhi.UPF
        
        184.8 kB
  - epw-elph-GPU
    - epw.in
      
      2.0 kB
    - epw.out.m_T300K_mK150-Q150_constant_degauss_0.01_gpu
      
      23.6 kB
    - m_T300K_mK150-Q150_constant_degauss_0.01_gpu
      - E12n1
        
        BTE.sigmavsT_ITER
        
        71 Bytes
        
        BTE.sigmavsT_RTA
        
        71 Bytes
        
        BTE.sr.T300K
        
        1.1 MB
    - pp
      - Mo.pbe-mt_fhi.UPF
        
        184.8 kB
  - phonon-nq888
    - matdyn.in
      
      299 Bytes
    - matdyn.out
      
      1.6 kB
    - ph1.in
      
      200 Bytes
    - ph1.out
      
      48.2 kB
    - ph2.in
      
      200 Bytes
    - ph2.out
      
      62.5 kB
    - ph3.in
      
      201 Bytes
    - ph3.out
      
      56.9 kB
    - ph4.in
      
      202 Bytes
    - ph4.out
      
      61.3 kB
    - ph5.in
      
      202 Bytes
    - ph5.out
      
      42.7 kB
    - ph6.in
      
      202 Bytes
    - ph6.out
      
      44.1 kB
    - ph7.in
      
      202 Bytes
    - ph7.out
      
      40.3 kB
    - ph8.in
      
      202 Bytes
    - ph8.out
      
      37.4 kB
    - phrest.in
      
      202 Bytes
    - phrest.out
      
      17.8 kB
    - q2r.in
      
      75 Bytes
    - q2r.out
      
      24.0 kB
    - scf.in
      
      677 Bytes
    - scf.out
      
      9.0 kB
  - wann-nk888
    - Mo.win
      
      20.4 kB
    - Mo.wout
      
      259.2 kB
    - nscf.in
      
      27.3 kB
    - nscf.out
      
      6.4 kB
    - pp
      - Mo.pbe-mt_fhi.UPF
        
        184.8 kB
    - pw2wan.in
      
      225 Bytes
    - pw2wan.out
      
      11.9 kB
    - scf.in
      
      680 Bytes
    - scf.out
      
      9.1 kB
- Si
  - BTE4ELPH
    - CPU_vs_GPU
      - 100
        
        cpu
        
        CONTROL
        
        345 Bytes
        
        E16n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_MRTA
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        50.5 kB
        
        epw.in
        
        1.8 kB
        
        epw.out
        
        13.4 kB
        
        run.sh
        
        588 Bytes
        
        gpu
        
        CONTROL
        
        408 Bytes
        
        E16n1
        
        BTE.sigmavsT_MRTA
        
        0 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        50.5 kB
        
        epw.in
        
        1.8 kB
        
        epw.out
        
        12.3 kB
      - 200
        
        CPU
        
        kbatch
        
        CONTROL
        
        330 Bytes
        
        E16n1
        
        BTE.PFvsT
        
        101 Bytes
        
        BTE.cumsigma.T300K
        
        14.1 kB
        
        BTE.kappavsT_MRTA
        
        101 Bytes
        
        BTE.kappavsT_RTA
        
        101 Bytes
        
        BTE.phase_qp.T300K
        
        2.0 MB
        
        BTE.seebkvsT_MRTA
        
        101 Bytes
        
        BTE.seebkvsT_RTA
        
        101 Bytes
        
        BTE.sigmavsT_MRTA
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        348.3 kB
        
        BTE.sr_qp.T300K
        
        1.5 MB
        
        epw.in
        
        1.8 kB
        
        epw.out
        
        53.2 kB
        
        qbatch
        
        CONTROL
        
        315 Bytes
        
        E16n1
        
        BTE.sigmavsT_MRTA
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        348.3 kB
        
        epw.in
        
        1.8 kB
        
        epw.out
        
        8.5 kB
        
        GPU
        
        CONTROL
        
        345 Bytes
        
        E16n1
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        349.0 kB
        
        epw.in
        
        1.8 kB
        
        epw.out
        
        14.6 kB
    - convergence
      - conv_300K_cg_0.0001.dat
        
        621 Bytes
      - conv_300K_cg_0.001.dat
        
        621 Bytes
      - conv_300K_cg_0.01.dat
        
        621 Bytes
      - conv_300K_cg_0.1.dat
        
        621 Bytes
  - EPW
    - epw
      - epw.in
        
        1.4 kB
      - epw.out.100
        
        50.8 kB
      - epw.out.150
        
        51.9 kB
      - epw.out.200
        
        55.6 kB
      - nscf.in
        
        19.0 kB
      - nscf.out
        
        6.4 kB
      - scf.in
        
        649 Bytes
      - scf.out
        
        9.6 kB
    - phonon
      - ph.in
        
        172 Bytes
      - ph.out
        
        134.9 kB
  - PERTURBO
    - pert
      - imsigma.in
        
        255 Bytes
      - imsigma.out
        
        1.3 kB
      - setup.in
        
        209 Bytes
      - setup.out
        
        746 Bytes
      - si.doping
        
        212 Bytes
      - si.temper
        
        67 Bytes
      - trans.in
        
        226 Bytes
      - trans.out
        
        893 Bytes
    - phonon
      - ph.in
        
        172 Bytes
    - qe2pert
      - qe2pert.in
        
        189 Bytes
      - qe2pert.out
        
        78.7 kB
  - compare
    - BTE.sr.T300K
      
      1.1 MB
    - BTE_4elph_mobi.dat
      
      786 Bytes
    - EPW_elmobi.dat
      
      165 Bytes
    - Pert_mobi.dat
      
      609 Bytes
    - Sr_EPW.dat
      
      2.1 MB
    - inv_taucb.fmt
      
      571.8 kB
    - plot_mu.gnu
      
      155 Bytes
    - plot_sr.gnu
      
      437 Bytes
    - relaxation_time.dat
      
      2.3 MB
    - si.imsigma
      
      1.6 MB
  - pp
    - Si.rel-pz-n-nc.UPF
      
      309.7 kB
- diamond
  - epw-elph-CPU
    - epw.in
      
      2.1 kB
    - epw.out.n_T300K_mK150-Q150_1e15_constant_degauss_0.01_kq
      
      9.3 kB
    - epw.out.n_T300K_mK150-Q150_1e15_constant_degauss_0.01_qk
      
      23.2 kB
    - epw.out.n_T300K_mK300-Q300_1e15_constant_degauss_0.01_kq
      
      9.4 kB
    - epw.out.p_T300K_mK150-Q150_1e15_constant_degauss_0.01_kq
      
      9.1 kB
    - epw.out.p_T300K_mK150-Q150_1e15_constant_degauss_0.01_qk
      
      15.9 kB
    - epw.out.p_T300K_mK300-Q300_1e15_constant_degauss_0.01_kq
      
      9.2 kB
    - n_T300K_mK150-Q150_1e15_constant_degauss_0.01_kq
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        90.7 kB
    - n_T300K_mK150-Q150_1e15_constant_degauss_0.01_qk
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        90.7 kB
    - n_T300K_mK300-Q300_1e15_constant_degauss_0.01_kq
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        645.9 kB
    - p_T300K_mK150-Q150_1e15_constant_degauss_0.01_kq
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        65.6 kB
    - p_T300K_mK150-Q150_1e15_constant_degauss_0.01_qk
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        65.6 kB
    - p_T300K_mK300-Q300_1e15_constant_degauss_0.01_kq
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        446.4 kB
  - epw-elph-GPU
    - CONTROL
      
      405 Bytes
    - epw.in
      
      2.1 kB
    - epw.out.n_T300K_mK300-Q300_1e15_constant_degauss_0.01_Et0.2_gpu
      
      18.1 kB
    - epw.out.n_T300K_mK300-Q300_1e15_constant_degauss_0.01_Et0.4_gpu
      
      22.9 kB
    - epw.out.n_T300K_mK300-Q300_1e15_constant_degauss_0.01_gpu
      
      20.4 kB
    - epw.out.p_T300K_mK300-Q300_1e15_constant_degauss_0.01_Et0.2_gpu
      
      17.2 kB
    - epw.out.p_T300K_mK300-Q300_1e15_constant_degauss_0.01_Et0.4_gpu
      
      20.5 kB
    - epw.out.p_T300K_mK300-Q300_1e15_constant_degauss_0.01_gpu
      
      18.8 kB
    - n_T300K_mK300-Q300_1e15_constant_degauss_0.01_Et0.2_gpu
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        363.4 kB
    - n_T300K_mK300-Q300_1e15_constant_degauss_0.01_Et0.4_gpu
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        664.1 kB
    - n_T300K_mK300-Q300_1e15_constant_degauss_0.01_gpu
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        645.9 kB
    - p_T300K_mK300-Q300_1e15_constant_degauss_0.01_Et0.2_gpu
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        253.1 kB
    - p_T300K_mK300-Q300_1e15_constant_degauss_0.01_Et0.4_gpu
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        664.1 kB
    - p_T300K_mK300-Q300_1e15_constant_degauss_0.01_gpu
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        446.4 kB
    - pseudo
      - C_ONCV_PBE-1.0.upf
        
        90.0 kB
      - C_ONCV_PBE_sr.upf
        
        184.4 kB
  - phonon-nq666
    - matdyn.in
      
      274 Bytes
    - matdyn.out
      
      1.4 kB
    - ph.in
      
      214 Bytes
    - ph.out
      
      263.1 kB
    - pseudo
      - C_ONCV_PBE-1.0.upf
        
        90.0 kB
      - C_ONCV_PBE_sr.upf
        
        184.4 kB
    - q2r.in
      
      71 Bytes
    - q2r.out
      
      11.4 kB
    - scf.in
      
      670 Bytes
    - scf.out
      
      14.0 kB
  - wann-nk666
    - diamond.win
      
      12.2 kB
    - diamond.wout
      
      72.5 kB
    - nscf.in
      
      11.9 kB
    - nscf.out
      
      10.9 kB
    - pseudo
      - C_ONCV_PBE-1.0.upf
        
        90.0 kB
      - C_ONCV_PBE_sr.upf
        
        184.4 kB
    - pw2wan.in
      
      145 Bytes
    - pw2wan.out
      
      6.8 kB
    - scf.in
      
      670 Bytes
    - scf.out
      
      13.0 kB
- wzGaN
  - epw-elph-CPU
    - epw.in
      
      1.9 kB
    - epw.out.n_T300K_mK180-Q180_1e15_constant_degauss_0.01_kq
      
      8.8 kB
    - epw.out.n_T300K_mK180-Q180_1e15_constant_degauss_0.01_qk
      
      13.7 kB
    - epw.out.n_T300K_mK300-Q300_1e15_constant_degauss_0.01_kq
      
      9.4 kB
    - epw.out.p_T300K_mK150-Q150_1e15_constant_degauss_0.01_kq
      
      10.1 kB
    - epw.out.p_T300K_mK80-Q80_1e15_constant_degauss_0.01_kq
      
      9.3 kB
    - epw.out.p_T300K_mK80-Q80_1e15_constant_degauss_0.01_qk
      
      19.3 kB
    - n_T300K_mK180-Q180_1e15_constant_degauss_0.01_kq
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        49.3 kB
    - n_T300K_mK180-Q180_1e15_constant_degauss_0.01_qk
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        49.3 kB
    - n_T300K_mK300-Q300_1e15_constant_degauss_0.01_kq
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        203.4 kB
    - p_T300K_mK150-Q150_1e15_constant_degauss_0.01_kq
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        1.0 MB
    - p_T300K_mK80-Q80_1e15_constant_degauss_0.01_kq
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        173.8 kB
    - p_T300K_mK80-Q80_1e15_constant_degauss_0.01_qk
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        173.8 kB
    - pseudo
      - Ga.pz-bhs.UPF
        
        91.8 kB
      - Ga_ONCV_PBE-1.0.upf
        
        115.4 kB
      - Ga_ONCV_PZ_fr.upf
        
        450.3 kB
      - N.pz-vbc.UPF
        
        26.0 kB
      - N_ONCV_PBE-1.0.upf
        
        90.0 kB
      - N_ONCV_PZ_fr.upf
        
        194.3 kB
  - epw-elph-GPU
    - CONTROL
      
      396 Bytes
    - epw.in
      
      1.9 kB
    - epw.out.n_T300K_mK300-Q300_1e15_constant_degauss_0.01_Et0.2_gpu
      
      17.7 kB
    - epw.out.n_T300K_mK300-Q300_1e15_constant_degauss_0.01_Et0.4_gpu
      
      19.7 kB
    - epw.out.n_T300K_mK300-Q300_constant_degauss_0.01_gpu
      
      18.7 kB
    - epw.out.p_T300K_mK150-Q150_1e15_constant_degauss_0.01_Et0.2_gpu
      
      24.0 kB
    - epw.out.p_T300K_mK150-Q150_1e15_constant_degauss_0.01_Et0.4_gpu
      
      32.0 kB
    - epw.out.p_T300K_mK150-Q150_1e15_constant_degauss_0.01_gpu
      
      27.6 kB
    - n_T300K_mK300-Q300_1e15_constant_degauss_0.01_Et0.2_gpu
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        107.2 kB
    - n_T300K_mK300-Q300_1e15_constant_degauss_0.01_Et0.4_gpu
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        327.8 kB
    - n_T300K_mK300-Q300_1e15_constant_degauss_0.01_gpu
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        203.4 kB
    - p_T300K_mK150-Q150_1e15_constant_degauss_0.01_Et0.2_gpu
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        551.7 kB
    - p_T300K_mK150-Q150_1e15_constant_degauss_0.01_Et0.4_gpu
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        1.6 MB
    - p_T300K_mK150-Q150_1e15_constant_degauss_0.01_gpu
      - E15n1
        
        BTE.sigmavsT_ITER
        
        161 Bytes
        
        BTE.sigmavsT_RTA
        
        161 Bytes
        
        BTE.sr.T300K
        
        1.0 MB
  - phonon-nq444
    - matdyn.in
      
      252 Bytes
    - matdyn.out
      
      1.8 kB
    - ph.in
      
      193 Bytes
    - ph.out
      
      122.1 kB
    - q2r.in
      
      65 Bytes
    - q2r.out
      
      5.2 kB
    - scf.in
      
      911 Bytes
    - scf.out
      
      45.0 kB
    - wzGaN.fc
      
      307.7 kB
  - wann-nk888
    - bands.in
      
      92 Bytes
    - bands.out
      
      1.4 MB
    - nscf.in
      
      27.0 kB
    - nscf.out
      
      7.5 kB
    - pw2wan.in
      
      141 Bytes
    - pw2wan.out
      
      0 Bytes
    - pwbands.in
      
      1.0 kB
    - pwbands.out
      
      21.9 kB
    - wzGaN.win
      
      28.6 kB
    - wzGaN.wout
      
      2.6 MB

calculations.zip