Preview

Data
- AtomicPositions
  - AgH5C6Se.relax.in
    
    7.5 kB
  - AgH5C6Se.relax.out
    
    6.6 MB
  - AgH5C6Se.vc-relax.in
    
    7.8 kB
  - AgH5C6Se.vc-relax.out
    
    6.6 MB
  - README.txt
    
    185 Bytes
- BandStructure
  - bands.in
    
    14.3 kB
  - bands.out
    
    16.5 kB
  - kpdos.in
    
    228 Bytes
  - kpdos.out
    
    72.3 MB
  - nscf.in
    
    6.7 kB
  - nscf.out
    
    144.5 kB
  - pdos.in
    
    230 Bytes
  - pdos.out
    
    25.8 MB
  - scf.in
    
    6.7 kB
  - scf.out
    
    39.5 kB
- PP
  - Ag_ONCV_PBE-1.2.upf
    
    115.6 kB
  - C_ONCV_PBE-1.2.upf
    
    90.2 kB
  - H_ONCV_PBE-1.2.upf
    
    65.0 kB
  - Se_ONCV_PBE-1.2.upf
    
    115.5 kB
- Phonons
  - AgH5C6Se.NC.ph.97deg.in
    
    292 Bytes
  - AgH5C6Se.NC.ph.97deg.out
    
    116.5 kB
  - AgH5C6Se.NC.ph.97deg.q2.out
    
    565.0 kB
  - AgH5C6Se.NC.ph.97deg.q4.in
    
    292 Bytes
  - AgH5C6Se.NC.ph.97deg.q4.out
    
    577.6 kB
  - AgH5C6Se.NC.ph.97deg.q5.in
    
    292 Bytes
  - AgH5C6Se.NC.ph.97deg.q5.out
    
    401.7 kB
  - AgH5C6Se.NC.ph.97deg.q5.r1.in
    
    291 Bytes
  - AgH5C6Se.NC.ph.97deg.q5.r1.out
    
    255.4 kB
  - AgH5C6Se.NC.ph.97deg.q6.in
    
    292 Bytes
  - AgH5C6Se.NC.ph.97deg.q6.out
    
    523.9 kB
  - AgH5C6Se.NC.ph.97deg.q8.in
    
    292 Bytes
  - AgH5C6Se.NC.ph.97deg.q8.out
    
    537.7 kB
  - AgH5C6Se.NC.ph.97deg.r1.out
    
    982.9 kB
  - AgH5C6Se.NC.ph.97deg.r2.out
    
    681.6 kB
  - AgH5C6Se.NC.scf.97deg.in
    
    7.8 kB
  - AgH5C6Se.NC.scf.97deg.out
    
    53.5 kB
  - AgH5C6Se.dynG0
    
    675 Bytes
  - AgH5C6Se.dynG1
    
    5.0 MB
  - AgH5C6Se.dynG2
    
    7.7 MB
  - AgH5C6Se.dynG3
    
    4.9 MB
  - AgH5C6Se.dynG4
    
    7.7 MB
  - AgH5C6Se.dynG5
    
    13.3 MB
  - AgH5C6Se.dynG6
    
    7.7 MB
  - AgH5C6Se.dynG7
    
    4.9 MB
  - AgH5C6Se.dynG8
    
    7.7 MB
  - AgH5C6Se.dynG9
    
    4.9 MB
  - dynmat.in
    
    70 Bytes
  - dynmat.log
    
    20.9 kB
- README.txt
  
  395 Bytes

Data.zip