NbSe2_CDW_ML.zip
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__MACOSX
._datasets
212 Bytes
._inputs
212 Bytes
._models
212 Bytes
._pseudo
212 Bytes
._results
212 Bytes
datasets
._.DS_Store
120 Bytes
._B1_bilayer_structural.xyz
649 Bytes
._M0_monolayer_large_smearing.xyz
212 Bytes
._M1_monolayer_structural.xyz
212 Bytes
._V1_monolayer_vibrational.xyz
268 Bytes
._VB1_bilayer_vibrational.xyz
212 Bytes
inputs
._.DS_Store
120 Bytes
._QE
212 Bytes
._lammps
212 Bytes
QE
._.DS_Store
120 Bytes
._NbSe2_normal_MM-bilayer.in
474 Bytes
._NbSe2_normal_large-smearing_monolayer.in
474 Bytes
._NbSe2_normal_monolayer.in
474 Bytes
._scf_hollow.in
474 Bytes
._scf_to_relax.in
268 Bytes
lammps
._.DS_Store
120 Bytes
._classical_Tc
212 Bytes
._coexistence
212 Bytes
._parity_runs
212 Bytes
._structures
212 Bytes
classical_Tc
._NbSe2.data
212 Bytes
._input_lammps.in
212 Bytes
coexistence
._NbSe2_M_33_hex_filled_test.data
212 Bytes
._NbSe2_coexistence.in
212 Bytes
parity_runs
._NbSe2_parity.in
212 Bytes
._NbSe2_unit_mono.data
212 Bytes
structures
._NbSe2_filled.data
212 Bytes
._NbSe2_hex.data
212 Bytes
._NbSe2_hollow.data
212 Bytes
._NbSe2_normal.data
212 Bytes
models
._.DS_Store
120 Bytes
._B1_bilayer_structural
212 Bytes
._M1_monolayer_structural
212 Bytes
._V1_monolayer_vibrational
212 Bytes
._VB1_bilayer_vibrational
212 Bytes
._allegro_training_example.yaml
268 Bytes
B1_bilayer_structural
._.DS_Store
120 Bytes
._B1_842_deployed.pth
212 Bytes
M0_monolayer_large_smearing
._.DS_Store
120 Bytes
._M0_LS_543_deployed.pth
1.7 kB
M1_monolayer_structural
._.DS_Store
120 Bytes
._M1_incomm_strained_552_deployed.pth
212 Bytes
V1_monolayer_vibrational
._.DS_Store
120 Bytes
._V1_1032_depolyed.pth
1.7 kB
VB1_bilayer_vibrational
._.DS_Store
120 Bytes
._VB1_1032_deployed.pth
212 Bytes
pseudo
._Nb.upf
212 Bytes
._Se.upf
212 Bytes
results
._.DS_Store
120 Bytes
._paper_figures
212 Bytes
._structural_properties
212 Bytes
._vibrational_properties
212 Bytes
paper_figures
._Figure_1.jpeg
212 Bytes
._Figure_2.jpeg
212 Bytes
._Figure_3.jpeg
212 Bytes
._Figure_4.jpeg
212 Bytes
._Figure_5.jpeg
212 Bytes
._Figure_6.jpeg
212 Bytes
structural_properties
._.DS_Store
120 Bytes
._coexistence
212 Bytes
._incommensurate
212 Bytes
coexistence
._Bilayer
212 Bytes
._Monolayer
212 Bytes
Bilayer
._dump.custom_bi_HNF
212 Bytes
._dump.custom_bi_hex_fill
212 Bytes
Monolayer
._dump.custom_COE_2F_2H
212 Bytes
._dump.custom_COE_F_N_H
212 Bytes
._dump.custom_hex_filled
212 Bytes
incommensurate
._dump.custom_11
212 Bytes
._dump.custom_77
212 Bytes
vibrational_properties
._bilayer
212 Bytes
._monolayer
212 Bytes
bilayer
._Phonons
212 Bytes
._SSCHA
212 Bytes
Phonons
._Allegro_3x3x1sc
212 Bytes
._Allegro_6x6x1_sc_MM
212 Bytes
._QE_3x3x1sc
212 Bytes
Allegro_3x3x1sc
._NbSe2.in
212 Bytes
._NbSe2_bi_MM_unit.data
212 Bytes
._dyn1
212 Bytes
._dyn2
212 Bytes
._dyn3
212 Bytes
._scf.in
212 Bytes
Allegro_6x6x1_sc_MM
._NbSe2.in
212 Bytes
._NbSe2_bi_MM_unit.data
212 Bytes
._dyn1
212 Bytes
._dyn2
212 Bytes
._dyn3
212 Bytes
._dyn4
212 Bytes
._dyn5
212 Bytes
._dyn6
212 Bytes
._dyn7
212 Bytes
._scf.in
212 Bytes
QE_3x3x1sc
._FORCE_CONSTANTS
212 Bytes
._NbSe2.in
212 Bytes
._NbSe2_bi_MM_unit.data
212 Bytes
._aiida.in
212 Bytes
._dyn1
212 Bytes
._dyn2
212 Bytes
._dyn3
212 Bytes
._plot_fc.py
212 Bytes
SSCHA
._10
212 Bytes
._20
212 Bytes
._50
212 Bytes
._60
212 Bytes
10
._dyn1
212 Bytes
._dyn2
212 Bytes
._dyn3
212 Bytes
._dyn4
212 Bytes
._dyn5
212 Bytes
._dyn6
212 Bytes
._dyn7
212 Bytes
._dyn_pop1_1
212 Bytes
._dyn_pop1_2
212 Bytes
._dyn_pop1_3
212 Bytes
._dyn_pop1_4
212 Bytes
._dyn_pop1_5
212 Bytes
._dyn_pop1_6
212 Bytes
._dyn_pop1_7
212 Bytes
._dyn_pop2_1
212 Bytes
._dyn_pop2_2
212 Bytes
._dyn_pop2_3
212 Bytes
._dyn_pop2_4
212 Bytes
._dyn_pop2_5
212 Bytes
._dyn_pop2_6
212 Bytes
._dyn_pop2_7
212 Bytes
._final_result1
212 Bytes
._final_result2
212 Bytes
._final_result3
212 Bytes
._final_result4
212 Bytes
._final_result5
212 Bytes
._final_result6
212 Bytes
._final_result7
212 Bytes
._hessian_d3_N10001
212 Bytes
._hessian_d3_N10002
212 Bytes
._hessian_d3_N10003
212 Bytes
._hessian_d3_N10004
212 Bytes
._hessian_d3_N10005
212 Bytes
._hessian_d3_N10006
212 Bytes
._hessian_d3_N10007
212 Bytes
._hessian_d3_N20001
212 Bytes
._hessian_d3_N20002
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212 Bytes
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212 Bytes
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212 Bytes
._hessian_d3_N5005
212 Bytes
._hessian_d3_N5006
212 Bytes
._hessian_d3_N5007
212 Bytes
._minim_data.dat
212 Bytes
._minim_data.freqs
212 Bytes
._out_sscha_nequip_job.txt
212 Bytes
20
._dyn1
212 Bytes
._dyn2
212 Bytes
._dyn3
212 Bytes
._dyn4
212 Bytes
._dyn5
212 Bytes
._dyn6
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
._dyn_pop3_4
212 Bytes
._dyn_pop3_5
212 Bytes
._dyn_pop3_6
212 Bytes
._dyn_pop3_7
212 Bytes
._final_result1
212 Bytes
._final_result2
212 Bytes
._final_result3
212 Bytes
._final_result4
212 Bytes
._final_result5
212 Bytes
._final_result6
212 Bytes
._final_result7
212 Bytes
._hessian_d3_N10001
212 Bytes
._hessian_d3_N10002
212 Bytes
._hessian_d3_N10003
212 Bytes
._hessian_d3_N10004
212 Bytes
._hessian_d3_N10005
212 Bytes
._hessian_d3_N10006
212 Bytes
._hessian_d3_N10007
212 Bytes
._hessian_d3_N20001
212 Bytes
._hessian_d3_N20002
212 Bytes
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212 Bytes
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212 Bytes
._hessian_d3_N20005
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._hessian_d3_N20006
212 Bytes
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212 Bytes
._hessian_d3_N2501
212 Bytes
._hessian_d3_N2502
212 Bytes
._hessian_d3_N2503
212 Bytes
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212 Bytes
._hessian_d3_N2505
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._hessian_d3_N2506
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._hessian_d3_N2507
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212 Bytes
._hessian_d3_N5002
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212 Bytes
._hessian_d3_N5005
212 Bytes
._hessian_d3_N5006
212 Bytes
._hessian_d3_N5007
212 Bytes
._minim_data.dat
212 Bytes
._minim_data.freqs
212 Bytes
._out_sscha_nequip_job.txt
212 Bytes
50
._dyn1
212 Bytes
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212 Bytes
._dyn3
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._final_result1
212 Bytes
._final_result2
212 Bytes
._final_result3
212 Bytes
._final_result4
212 Bytes
._final_result5
212 Bytes
._final_result6
212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
._hessian_d3_N20003
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._hessian_d3_N20004
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._hessian_d3_N20005
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._hessian_d3_N20006
212 Bytes
._hessian_d3_N20007
212 Bytes
._hessian_d3_N2501
212 Bytes
._hessian_d3_N2502
212 Bytes
._hessian_d3_N2503
212 Bytes
._hessian_d3_N2504
212 Bytes
._hessian_d3_N2505
212 Bytes
._hessian_d3_N2506
212 Bytes
._hessian_d3_N2507
212 Bytes
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212 Bytes
._hessian_d3_N5002
212 Bytes
._hessian_d3_N5003
212 Bytes
._hessian_d3_N5004
212 Bytes
._hessian_d3_N5005
212 Bytes
._hessian_d3_N5006
212 Bytes
._hessian_d3_N5007
212 Bytes
._minim_data.dat
212 Bytes
._minim_data.freqs
212 Bytes
._out_sscha_nequip_job.txt
212 Bytes
60
._dyn1
212 Bytes
._dyn2
212 Bytes
._dyn3
212 Bytes
._dyn4
212 Bytes
._dyn5
212 Bytes
._dyn6
212 Bytes
._dyn7
212 Bytes
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212 Bytes
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212 Bytes
._dyn_pop1_3
212 Bytes
._dyn_pop1_4
212 Bytes
._dyn_pop1_5
212 Bytes
._dyn_pop1_6
212 Bytes
._dyn_pop1_7
212 Bytes
._final_result1
212 Bytes
._final_result2
212 Bytes
._final_result3
212 Bytes
._final_result4
212 Bytes
._final_result5
212 Bytes
._final_result6
212 Bytes
._final_result7
212 Bytes
._hessian_d3_N10001
212 Bytes
._hessian_d3_N10002
212 Bytes
._hessian_d3_N10003
212 Bytes
._hessian_d3_N10004
212 Bytes
._hessian_d3_N10005
212 Bytes
._hessian_d3_N10006
212 Bytes
._hessian_d3_N10007
212 Bytes
._hessian_d3_N20001
212 Bytes
._hessian_d3_N20002
212 Bytes
._hessian_d3_N20003
212 Bytes
._hessian_d3_N20004
212 Bytes
._hessian_d3_N20005
212 Bytes
._hessian_d3_N20006
212 Bytes
._hessian_d3_N20007
212 Bytes
._hessian_d3_N2501
212 Bytes
._hessian_d3_N2502
212 Bytes
._hessian_d3_N2503
212 Bytes
._hessian_d3_N2504
212 Bytes
._hessian_d3_N2505
212 Bytes
._hessian_d3_N2506
212 Bytes
._hessian_d3_N2507
212 Bytes
._hessian_d3_N5001
212 Bytes
._hessian_d3_N5002
212 Bytes
._hessian_d3_N5003
212 Bytes
._hessian_d3_N5004
212 Bytes
._hessian_d3_N5005
212 Bytes
._hessian_d3_N5006
212 Bytes
._hessian_d3_N5007
212 Bytes
._minim_data.dat
212 Bytes
._minim_data.freqs
212 Bytes
._out_sscha_nequip_job.txt
212 Bytes
monolayer
._Phonons
212 Bytes
._SSCHA
212 Bytes
Phonons
._Allegro_3x3x1sc
212 Bytes
._Allegro_6x6x1sc
212 Bytes
._QE_3x3x1sc
212 Bytes
._QE_6x6x1sc
212 Bytes
._hollow_gamma
212 Bytes
Allegro_3x3x1sc
._NbSe2.in
212 Bytes
._dyn1
212 Bytes
._dyn2
212 Bytes
._dyn3
212 Bytes
._scf.in
212 Bytes
Allegro_6x6x1sc
._NbSe2.in
212 Bytes
._dyn1
212 Bytes
._dyn2
212 Bytes
._dyn3
212 Bytes
._dyn4
212 Bytes
._dyn5
212 Bytes
._dyn6
212 Bytes
._dyn7
212 Bytes
._scf.in
212 Bytes
QE_3x3x1sc
._NbSe2.in
212 Bytes
._dyn1
212 Bytes
._dyn2
212 Bytes
._dyn3
212 Bytes
._scf.in
212 Bytes
QE_6x6x1sc
._dyn1
212 Bytes
._dyn2
212 Bytes
._dyn3
212 Bytes
._dyn4
212 Bytes
._dyn5
212 Bytes
._dyn6
212 Bytes
._dyn7
212 Bytes
hollow_gamma
._Allegro
212 Bytes
._QE
212 Bytes
SSCHA
._10
212 Bytes
._20
212 Bytes
._50
212 Bytes
._60
212 Bytes
50
._dyn1
212 Bytes
._dyn2
212 Bytes
._dyn3
212 Bytes
._dyn4
212 Bytes
._dyn5
212 Bytes
._dyn6
212 Bytes
._dyn7
212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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._final_result1
212 Bytes
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212 Bytes
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212 Bytes
._hessian_d3_N10001
212 Bytes
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212 Bytes
._hessian_d3_N10003
212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
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212 Bytes
._hessian_d3_N5006
212 Bytes
._hessian_d3_N5007
212 Bytes
._minim_data.dat
212 Bytes
._minim_data.freqs
212 Bytes
._out_sscha_nequip_job.txt
212 Bytes
datasets
.DS_Store
6.1 kB
B1_bilayer_structural.xyz
7.7 MB
M0_monolayer_large_smearing.xyz
865.2 kB
M1_monolayer_structural.xyz
4.5 MB
V1_monolayer_vibrational.xyz
3.6 MB
VB1_bilayer_vibrational.xyz
9.8 MB
inputs
.DS_Store
6.1 kB
QE
.DS_Store
6.1 kB
NbSe2_normal_MM-bilayer.in
1.2 kB
NbSe2_normal_large-smearing_monolayer.in
1.7 kB
NbSe2_normal_monolayer.in
908 Bytes
scf_hollow.in
2.4 kB
scf_to_relax.in
975 Bytes
lammps
.DS_Store
8.2 kB
classical_Tc
NbSe2.data
2.5 kB
input_lammps.in
933 Bytes
coexistence
NbSe2_M_33_hex_filled_test.data
9.8 kB
NbSe2_coexistence.in
843 Bytes
parity_runs
NbSe2_parity.in
1.1 kB
NbSe2_unit_mono.data
342 Bytes
structures
NbSe2_filled.data
1.9 kB
NbSe2_hex.data
2.1 kB
NbSe2_hollow.data
1.0 kB
NbSe2_normal.data
2.0 kB
models
.DS_Store
10.2 kB
B1_bilayer_structural
.DS_Store
6.1 kB
B1_842_deployed.pth
5.6 MB
M0_monolayer_large_smearing
.DS_Store
6.1 kB
M0_LS_543_deployed.pth
13.9 MB
M1_monolayer_structural
.DS_Store
6.1 kB
M1_incomm_strained_552_deployed.pth
10.5 MB
V1_monolayer_vibrational
.DS_Store
6.1 kB
V1_1032_depolyed.pth
3.7 MB
VB1_bilayer_vibrational
.DS_Store
6.1 kB
VB1_1032_deployed.pth
3.7 MB
allegro_training_example.yaml
8.4 kB
pseudo
Nb.upf
618.9 kB
Se.upf
565.7 kB
results
.DS_Store
6.1 kB
paper_figures
Figure_1.jpeg
856.5 kB
Figure_2.jpeg
1.1 MB
Figure_3.jpeg
747.6 kB
Figure_4.jpeg
928.3 kB
Figure_5.jpeg
763.1 kB
Figure_6.jpeg
436.4 kB
structural_properties
.DS_Store
6.1 kB
coexistence
Bilayer
dump.custom_bi_HNF
656.4 kB
dump.custom_bi_hex_fill
59.6 MB
Monolayer
dump.custom_COE_2F_2H
110.0 MB
dump.custom_COE_F_N_H
62.0 MB
dump.custom_hex_filled
62.0 MB
incommensurate
dump.custom_11
52.9 MB
dump.custom_77
20.0 MB
vibrational_properties
bilayer
Phonons
Allegro_3x3x1sc
NbSe2.in
776 Bytes
NbSe2_bi_MM_unit.data
491 Bytes
dyn1
25.8 kB
dyn2
106.7 kB
dyn3
42.0 kB
scf.in
1.2 kB
Allegro_6x6x1_sc_MM
NbSe2.in
776 Bytes
NbSe2_bi_MM_unit.data
491 Bytes
dyn1
25.8 kB
dyn2
203.7 kB
dyn3
106.7 kB
dyn4
106.7 kB
dyn5
42.0 kB
dyn6
106.7 kB
dyn7
58.1 kB
scf.in
1.2 kB
QE_3x3x1sc
FORCE_CONSTANTS
602.6 kB
NbSe2.in
776 Bytes
NbSe2_bi_MM_unit.data
491 Bytes
aiida.in
1.2 kB
dyn1
25.8 kB
dyn2
106.7 kB
dyn3
42.0 kB
plot_fc.py
1.9 kB
SSCHA
10
dyn1
25.8 kB
dyn2
203.7 kB
dyn3
106.7 kB
dyn4
106.7 kB
dyn5
42.0 kB
dyn6
106.7 kB
dyn7
58.1 kB
dyn_pop1_1
25.8 kB
dyn_pop1_2
203.7 kB
dyn_pop1_3
106.7 kB
dyn_pop1_4
106.7 kB
dyn_pop1_5
42.0 kB
dyn_pop1_6
106.7 kB
dyn_pop1_7
58.1 kB
dyn_pop2_1
25.8 kB
dyn_pop2_2
203.7 kB
dyn_pop2_3
106.7 kB
dyn_pop2_4
106.7 kB
dyn_pop2_5
42.0 kB
dyn_pop2_6
106.7 kB
dyn_pop2_7
58.1 kB
final_result1
25.8 kB
final_result2
203.7 kB
final_result3
106.7 kB
final_result4
106.7 kB
final_result5
42.0 kB
final_result6
106.7 kB
final_result7
58.1 kB
hessian_d3_N10001
25.8 kB
hessian_d3_N10002
203.7 kB
hessian_d3_N10003
106.7 kB
hessian_d3_N10004
106.7 kB
hessian_d3_N10005
42.0 kB
hessian_d3_N10006
106.7 kB
hessian_d3_N10007
58.1 kB
hessian_d3_N20001
25.8 kB
hessian_d3_N20002
203.7 kB
hessian_d3_N20003
106.7 kB
hessian_d3_N20004
106.7 kB
hessian_d3_N20005
42.0 kB
hessian_d3_N20006
106.7 kB
hessian_d3_N20007
58.1 kB
hessian_d3_N2501
25.8 kB
hessian_d3_N2502
203.7 kB
hessian_d3_N2503
106.7 kB
hessian_d3_N2504
106.7 kB
hessian_d3_N2505
42.0 kB
hessian_d3_N2506
106.7 kB
hessian_d3_N2507
58.1 kB
hessian_d3_N5001
25.8 kB
hessian_d3_N5002
203.7 kB
hessian_d3_N5003
106.7 kB
hessian_d3_N5004
106.7 kB
hessian_d3_N5005
42.0 kB
hessian_d3_N5006
106.7 kB
hessian_d3_N5007
58.1 kB
minim_data.dat
5.9 kB
minim_data.freqs
534.7 kB
out_sscha_nequip_job.txt
232.1 kB
20
dyn1
25.8 kB
dyn2
203.7 kB
dyn3
106.7 kB
dyn4
106.7 kB
dyn5
42.0 kB
dyn6
106.7 kB
dyn7
58.1 kB
dyn_pop1_1
25.8 kB
dyn_pop1_2
203.7 kB
dyn_pop1_3
106.7 kB
dyn_pop1_4
106.7 kB
dyn_pop1_5
42.0 kB
dyn_pop1_6
106.7 kB
dyn_pop1_7
58.1 kB
dyn_pop2_1
25.8 kB
dyn_pop2_2
203.7 kB
dyn_pop2_3
106.7 kB
dyn_pop2_4
106.7 kB
dyn_pop2_5
42.0 kB
dyn_pop2_6
106.7 kB
dyn_pop2_7
58.1 kB
dyn_pop3_1
25.8 kB
dyn_pop3_2
203.7 kB
dyn_pop3_3
106.7 kB
dyn_pop3_4
106.7 kB
dyn_pop3_5
42.0 kB
dyn_pop3_6
106.7 kB
dyn_pop3_7
58.1 kB
final_result1
25.8 kB
final_result2
203.7 kB
final_result3
106.7 kB
final_result4
106.7 kB
final_result5
42.0 kB
final_result6
106.7 kB
final_result7
58.1 kB
hessian_d3_N10001
25.8 kB
hessian_d3_N10002
203.7 kB
hessian_d3_N10003
106.7 kB
hessian_d3_N10004
106.7 kB
hessian_d3_N10005
42.0 kB
hessian_d3_N10006
106.7 kB
hessian_d3_N10007
58.1 kB
hessian_d3_N20001
25.8 kB
hessian_d3_N20002
203.7 kB
hessian_d3_N20003
106.7 kB
hessian_d3_N20004
106.7 kB
hessian_d3_N20005
42.0 kB
hessian_d3_N20006
106.7 kB
hessian_d3_N20007
58.1 kB
hessian_d3_N2501
25.8 kB
hessian_d3_N2502
203.7 kB
hessian_d3_N2503
106.7 kB
hessian_d3_N2504
106.7 kB
hessian_d3_N2505
42.0 kB
hessian_d3_N2506
106.7 kB
hessian_d3_N2507
58.1 kB
hessian_d3_N5001
25.8 kB
hessian_d3_N5002
203.7 kB
hessian_d3_N5003
106.7 kB
hessian_d3_N5004
106.7 kB
hessian_d3_N5005
42.0 kB
hessian_d3_N5006
106.7 kB
hessian_d3_N5007
58.1 kB
minim_data.dat
6.3 kB
minim_data.freqs
567.1 kB
out_sscha_nequip_job.txt
232.1 kB
50
dyn1
25.8 kB
dyn2
203.7 kB
dyn3
106.7 kB
dyn4
106.7 kB
dyn5
42.0 kB
dyn6
106.7 kB
dyn7
58.1 kB
dyn_pop1_1
25.8 kB
dyn_pop1_2
203.7 kB
dyn_pop1_3
106.7 kB
dyn_pop1_4
106.7 kB
dyn_pop1_5
42.0 kB
dyn_pop1_6
106.7 kB
dyn_pop1_7
58.1 kB
dyn_pop2_1
25.8 kB
dyn_pop2_2
203.7 kB
dyn_pop2_3
106.7 kB
dyn_pop2_4
106.7 kB
dyn_pop2_5
42.0 kB
dyn_pop2_6
106.7 kB
dyn_pop2_7
58.1 kB
dyn_pop3_1
25.8 kB
dyn_pop3_2
203.7 kB
dyn_pop3_3
106.7 kB
dyn_pop3_4
106.7 kB
dyn_pop3_5
42.0 kB
dyn_pop3_6
106.7 kB
dyn_pop3_7
58.1 kB
dyn_pop4_1
25.8 kB
dyn_pop4_2
203.7 kB
dyn_pop4_3
106.7 kB
dyn_pop4_4
106.7 kB
dyn_pop4_5
42.0 kB
dyn_pop4_6
106.7 kB
dyn_pop4_7
58.1 kB
dyn_pop5_1
25.8 kB
dyn_pop5_2
203.7 kB
dyn_pop5_3
106.7 kB
dyn_pop5_4
106.7 kB
dyn_pop5_5
42.0 kB
dyn_pop5_6
106.7 kB
dyn_pop5_7
58.1 kB
dyn_pop6_1
25.8 kB
dyn_pop6_2
203.7 kB
dyn_pop6_3
106.7 kB
dyn_pop6_4
106.7 kB
dyn_pop6_5
42.0 kB
dyn_pop6_6
106.7 kB
dyn_pop6_7
58.1 kB
final_result1
25.8 kB
final_result2
203.7 kB
final_result3
106.7 kB
final_result4
106.7 kB
final_result5
42.0 kB
final_result6
106.7 kB
final_result7
58.1 kB
hessian_d3_N10001
25.8 kB
hessian_d3_N10002
203.7 kB
hessian_d3_N10003
106.7 kB
hessian_d3_N10004
106.7 kB
hessian_d3_N10005
42.0 kB
hessian_d3_N10006
106.7 kB
hessian_d3_N10007
58.1 kB
hessian_d3_N20001
25.8 kB
hessian_d3_N20002
203.7 kB
hessian_d3_N20003
106.7 kB
hessian_d3_N20004
106.7 kB
hessian_d3_N20005
42.0 kB
hessian_d3_N20006
106.7 kB
hessian_d3_N20007
58.1 kB
hessian_d3_N2501
25.8 kB
hessian_d3_N2502
203.7 kB
hessian_d3_N2503
106.7 kB
hessian_d3_N2504
106.7 kB
hessian_d3_N2505
42.0 kB
hessian_d3_N2506
106.7 kB
hessian_d3_N2507
58.1 kB
hessian_d3_N5001
25.8 kB
hessian_d3_N5002
203.7 kB
hessian_d3_N5003
106.7 kB
hessian_d3_N5004
106.7 kB
hessian_d3_N5005
42.0 kB
hessian_d3_N5006
106.7 kB
hessian_d3_N5007
58.1 kB
minim_data.dat
8.2 kB
minim_data.freqs
745.3 kB
out_sscha_nequip_job.txt
232.1 kB
60
dyn1
25.8 kB
dyn2
203.7 kB
dyn3
106.7 kB
dyn4
106.7 kB
dyn5
42.0 kB
dyn6
106.7 kB
dyn7
58.1 kB
dyn_pop1_1
25.8 kB
dyn_pop1_2
203.7 kB
dyn_pop1_3
106.7 kB
dyn_pop1_4
106.7 kB
dyn_pop1_5
42.0 kB
dyn_pop1_6
106.7 kB
dyn_pop1_7
58.1 kB
final_result1
25.8 kB
final_result2
203.7 kB
final_result3
106.7 kB
final_result4
106.7 kB
final_result5
42.0 kB
final_result6
106.7 kB
final_result7
58.1 kB
hessian_d3_N10001
25.8 kB
hessian_d3_N10002
203.7 kB
hessian_d3_N10003
106.7 kB
hessian_d3_N10004
106.7 kB
hessian_d3_N10005
42.0 kB
hessian_d3_N10006
106.7 kB
hessian_d3_N10007
58.1 kB
hessian_d3_N20001
25.8 kB
hessian_d3_N20002
203.7 kB
hessian_d3_N20003
106.7 kB
hessian_d3_N20004
106.7 kB
hessian_d3_N20005
42.0 kB
hessian_d3_N20006
106.7 kB
hessian_d3_N20007
58.1 kB
hessian_d3_N2501
25.8 kB
hessian_d3_N2502
203.7 kB
hessian_d3_N2503
106.7 kB
hessian_d3_N2504
106.7 kB
hessian_d3_N2505
42.0 kB
hessian_d3_N2506
106.7 kB
hessian_d3_N2507
58.1 kB
hessian_d3_N5001
25.8 kB
hessian_d3_N5002
203.7 kB
hessian_d3_N5003
106.7 kB
hessian_d3_N5004
106.7 kB
hessian_d3_N5005
42.0 kB
hessian_d3_N5006
106.7 kB
hessian_d3_N5007
58.1 kB
minim_data.dat
818 Bytes
minim_data.freqs
64.8 kB
out_sscha_nequip_job.txt
232.1 kB
monolayer
Phonons
Allegro_3x3x1sc
NbSe2.in
751 Bytes
dyn1
7.5 kB
dyn2
28.2 kB
dyn3
11.7 kB
scf.in
968 Bytes
Allegro_6x6x1sc
NbSe2.in
751 Bytes
dyn1
7.5 kB
dyn2
52.9 kB
dyn3
28.2 kB
dyn4
28.2 kB
dyn5
11.7 kB
dyn6
28.2 kB
dyn7
15.8 kB
scf.in
968 Bytes
QE_3x3x1sc
NbSe2.in
721 Bytes
dyn1
7.5 kB
dyn2
28.2 kB
dyn3
11.7 kB
scf.in
912 Bytes
QE_6x6x1sc
dyn1
7.5 kB
dyn2
52.9 kB
dyn3
28.2 kB
dyn4
28.2 kB
dyn5
11.7 kB
dyn6
28.2 kB
dyn7
15.8 kB
hollow_gamma
Allegro
QE
SSCHA
10
20
50
dyn1
7.5 kB
dyn2
52.9 kB
dyn3
28.2 kB
dyn4
28.2 kB
dyn5
11.7 kB
dyn6
28.2 kB
dyn7
15.8 kB
dyn_pop1_1
7.5 kB
dyn_pop1_3
28.2 kB
dyn_pop1_4
28.2 kB
dyn_pop1_6
28.2 kB
dyn_pop1_7
15.8 kB
dyn_pop2_1
7.5 kB
dyn_pop2_2
52.9 kB
dyn_pop2_3
28.2 kB
dyn_pop2_4
28.2 kB
dyn_pop2_5
11.7 kB
dyn_pop2_6
28.2 kB
dyn_pop2_7
15.8 kB
dyn_pop3_2
52.9 kB
dyn_pop3_3
28.2 kB
dyn_pop3_4
28.2 kB
dyn_pop3_5
11.7 kB
dyn_pop3_7
15.8 kB
dyn_pop4_1
7.5 kB
dyn_pop4_2
52.9 kB
dyn_pop4_3
28.2 kB
dyn_pop4_4
28.2 kB
dyn_pop4_5
11.7 kB
dyn_pop4_6
28.2 kB
dyn_pop4_7
15.8 kB
dyn_pop5_1
7.5 kB
dyn_pop5_2
52.9 kB
dyn_pop5_5
11.7 kB
dyn_pop5_6
28.2 kB
dyn_pop5_7
15.8 kB
dyn_pop6_1
7.5 kB
dyn_pop6_2
52.9 kB
dyn_pop6_3
28.2 kB
dyn_pop6_4
28.2 kB
dyn_pop6_5
11.7 kB
dyn_pop6_6
28.2 kB
dyn_pop6_7
15.8 kB
dyn_pop7_2
52.9 kB
dyn_pop7_3
28.2 kB
dyn_pop7_4
28.2 kB
dyn_pop7_5
11.7 kB
dyn_pop8_1
7.5 kB
dyn_pop8_2
52.9 kB
dyn_pop8_3
28.2 kB
dyn_pop8_4
28.2 kB
dyn_pop8_5
11.7 kB
dyn_pop8_6
28.2 kB
dyn_pop8_7
15.8 kB
dyn_pop9_2
52.9 kB
dyn_pop9_3
28.2 kB
dyn_pop9_4
28.2 kB
dyn_pop9_5
11.7 kB
dyn_pop9_7
15.8 kB
final_result1
7.5 kB
final_result6
28.2 kB
final_result7
15.8 kB
hessian_d3_N10001
7.5 kB
hessian_d3_N10002
52.9 kB
hessian_d3_N10003
28.2 kB
hessian_d3_N10004
28.2 kB
hessian_d3_N10005
11.7 kB
hessian_d3_N10006
28.2 kB
hessian_d3_N10007
15.8 kB
hessian_d3_N20001
7.5 kB
hessian_d3_N20002
52.9 kB
hessian_d3_N20003
28.2 kB
hessian_d3_N20004
28.2 kB
hessian_d3_N20005
11.7 kB
hessian_d3_N20006
28.2 kB
hessian_d3_N20007
15.8 kB
hessian_d3_N2501
7.5 kB
hessian_d3_N2506
28.2 kB
hessian_d3_N2507
15.8 kB
hessian_d3_N5001
7.5 kB
hessian_d3_N5003
28.2 kB
hessian_d3_N5004
28.2 kB
hessian_d3_N5006
28.2 kB
hessian_d3_N5007
15.8 kB
minim_data.dat
11.4 kB
minim_data.freqs
518.5 kB
out_sscha_nequip_job.txt
1.7 MB
60