eph_to_HZDR.zip
eph_to_HZDR
Au
Au_Ge-Te_Lin.dat
28.6 kB
Au_Ge-Te_NRL.dat
2.1 kB
G_Brown.csv
2.0 kB
G_Li.csv
2.2 kB
G_Migdal.csv
1.4 kB
G_Petrov_0.6.csv
2.0 kB
G_Petrov_cor.csv
1.8 kB
G_Smirnov.csv
1.9 kB
PHBST_GL.csv
761 Bytes
PHBST_GXWX.csv
1.7 kB
PHBST_KG.csv
1.3 kB
PHBST_XK.csv
449 Bytes
edos
10000
outdata
out_DOS
435.7 kB
12500
outdata
out_DOS
435.7 kB
15000
outdata
out_DOS
435.7 kB
17500
outdata
out_DOS
435.7 kB
20000
outdata
out_DOS
435.7 kB
2500
outdata
out_DOS
435.7 kB
300
outdata
out_DOS
435.7 kB
5000
outdata
out_DOS
435.7 kB
7500
outdata
out_DOS
435.7 kB
Au.psp8
256.7 kB
make_wflow.py
2.6 kB
submit-array.sh
507 Bytes
eph
300K
out_A2F.nc
16.0 MB
out_A2FW
17.0 kB
out_EBANDS.agr
4.7 MB
out_EDOS
1.6 MB
out_NOINTP_A2FW
17.0 kB
out_NOINTP_PH_A2FW
67.0 kB
out_OUT.nc
27.3 kB
out_PHBANDS.agr
13.8 kB
out_PHBST.nc
10.1 MB
out_PHDOS.nc
10.1 MB
out_PHGAMMA
21.5 kB
out_PH_A2FW
67.0 kB
300K_eew
out_A2F.nc
14.5 MB
out_A2FW
17.0 kB
out_A2FW_reference
9.6 kB
out_EBANDS.agr
4.7 MB
out_EDOS
1.6 MB
out_NOINTP_A2FEEW
174.3 MB
out_NOINTP_A2FW
17.0 kB
out_NOINTP_A2FW_reference
9.6 kB
out_NOINTP_PH_A2FW
67.0 kB
out_OUT.nc
28.3 kB
out_PHBANDS.agr
22.3 kB
out_PHBST.nc
10.1 MB
out_PHDOS.nc
10.1 MB
out_PHGAMMA
34.9 kB
out_PH_A2FW
67.0 kB
300K_eew_fine
out_A2F.nc
14.5 MB
out_A2FW
17.0 kB
out_EDOS
1.6 MB
out_NOINTP_A2FEEW
697.2 MB
out_NOINTP_A2FW
17.0 kB
out_NOINTP_A2FW_reference
9.6 kB
out_NOINTP_PH_A2FW
67.0 kB
out_OUT.nc
28.3 kB
out_PHBST.nc
10.1 MB
out_PHDOS.nc
10.1 MB
out_PHGAMMA
34.9 kB
Au.psp8
256.7 kB
eph_te_flow.py
6.6 kB
run_eph.sh
791 Bytes
run_mrg.sh
847 Bytes
run_ph.sh
514 Bytes
run_scf_nscf.sh
629 Bytes
eph.py
12.5 kB
phdos_exp.csv
4.3 kB
readme.md
1.7 kB
tools.py
2.4 kB
Pd
Li.csv
1.2 kB
Pd_Ge-Te.dat
2.1 kB
edos
1000
outdata
out_DOS
306.5 kB
10000
outdata
out_DOS
306.5 kB
11000
outdata
out_DOS
306.5 kB
12000
outdata
out_DOS
306.5 kB
13000
outdata
out_DOS
306.5 kB
14000
outdata
out_DOS
306.5 kB
15000
outdata
out_DOS
306.5 kB
16000
outdata
out_DOS
306.5 kB
17000
outdata
out_DOS
306.5 kB
18000
outdata
out_DOS
306.5 kB
19000
outdata
out_DOS
306.5 kB
2000
outdata
out_DOS
306.5 kB
20000
outdata
out_DOS
306.5 kB
300
outdata
out_DOS
306.5 kB
3000
outdata
out_DOS
306.5 kB
4000
outdata
out_DOS
306.5 kB
5000
outdata
out_DOS
306.5 kB
6000
outdata
out_DOS
306.5 kB
7000
outdata
out_DOS
306.5 kB
8000
outdata
out_DOS
306.5 kB
9000
outdata
out_DOS
306.5 kB
Pd_PBE.psp8
280.1 kB
make_wflow.py
2.6 kB
submit-array.sh
507 Bytes
eph
300K
out_A2F.nc
12.7 MB
out_A2FW
26.0 kB
out_EBANDS.agr
2.5 MB
out_EDOS
1.1 MB
out_NOINTP_A2FW
26.0 kB
out_NOINTP_PH_A2FW
102.7 kB
out_OUT.nc
27.4 kB
out_PHBANDS.agr
28.4 kB
out_PHBST.nc
10.1 MB
out_PHDOS.nc
10.1 MB
out_PHGAMMA
44.5 kB
out_PH_A2FW
102.7 kB
run.abi
2.5 kB
run.files
345 Bytes
300K_eew
out_A2F.nc
12.6 MB
out_A2FW
27.8 kB
out_EBANDS.agr
2.5 MB
out_EDOS
1.1 MB
out_NOINTP_A2FEEW
287.2 MB
out_NOINTP_A2FW
27.8 kB
out_NOINTP_A2FW_reference
15.5 kB
out_NOINTP_PH_A2FW
109.9 kB
out_OUT.nc
28.3 kB
out_PHBANDS.agr
22.3 kB
out_PHBST.nc
10.1 MB
out_PHDOS.nc
10.1 MB
out_PHGAMMA
34.9 kB
out_PH_A2FW
109.9 kB
run.abi
2.5 kB
run.abo
57.6 kB
run.log
165.6 kB
300K_eew_fine
out_A2F.nc
12.6 MB
out_A2FW
27.8 kB
out_A2FW_reference
15.5 kB
out_EDOS
1.1 MB
out_NOINTP_A2FEEW
1.1 GB
out_NOINTP_A2FW
27.8 kB
out_NOINTP_A2FW_reference
15.5 kB
out_NOINTP_PH_A2FW
109.9 kB
out_OUT.nc
28.3 kB
out_PHBST.nc
10.1 MB
out_PHDOS.nc
10.1 MB
out_PHGAMMA
34.9 kB
out_PH_A2FW
109.9 kB
Pd_PBE.psp8
280.1 kB
Pd_te_flow.py
6.4 kB
run_eph.sh
791 Bytes
run_mrg.sh
847 Bytes
run_ph.sh
514 Bytes
run_scf_nscf.sh
629 Bytes
eph.py
13.5 kB
exp_120K_GL.csv
576 Bytes
exp_120K_GX.csv
754 Bytes
exp_120K_UG.csv
987 Bytes
exp_120K_XU.csv
340 Bytes
exp_phDOS.csv
3.3 kB
readme.md
1.4 kB
tools.py
2.0 kB
Ru
Ru-G_NRL.dat
5.2 kB
coupling_Petrov.csv
613 Bytes
e_dos
gauss
10000
outdata
out_DOS
325.7 kB
12500
outdata
out_DOS
338.7 kB
15000
outdata
out_DOS
351.7 kB
17500
outdata
out_DOS
364.7 kB
20000
outdata
out_DOS
384.2 kB
2500
outdata
out_DOS
273.7 kB
300
outdata
out_DOS
260.7 kB
5000
outdata
out_DOS
293.2 kB
7500
outdata
out_DOS
306.2 kB
Ru_NC.psp8
280.1 kB
make_wflow.py
2.4 kB
submit-array.sh
507 Bytes
tetra
10000
outdata
out_DOS
272.5 kB
15000
outdata
out_DOS
272.5 kB
20000
outdata
out_DOS
272.5 kB
25000
outdata
out_DOS
272.5 kB
300
outdata
out_DOS
272.5 kB
30000
outdata
out_DOS
272.5 kB
35000
outdata
out_DOS
272.5 kB
40000
outdata
out_DOS
272.5 kB
45000
outdata
out_DOS
272.5 kB
5000
outdata
out_DOS
272.5 kB
50000
outdata
out_DOS
272.5 kB
Ru_NC.psp8
280.1 kB
make_wflow.py
2.3 kB
submit-array.sh
507 Bytes
eph
Ru_NC.psp8
280.1 kB
Ru_te_flow.py
6.5 kB
eph_a2fw
300K
out_A2F.nc
19.0 MB
out_A2FW
27.1 kB
out_EBANDS.agr
9.3 MB
out_EDOS
994.4 kB
out_NOINTP_A2FW
27.1 kB
out_NOINTP_PH_A2FW
187.7 kB
out_OUT.nc
25.7 kB
out_PHBANDS.agr
38.4 kB
out_PHBST.nc
10.2 MB
out_PHDOS.nc
10.1 MB
out_PHGAMMA
76.6 kB
out_PH_A2FW
187.7 kB
eph_out
300K
in_DDB
3.5 MB
out_A2F.nc
17.7 MB
out_A2FEEW
280.5 MB
out_A2FW
27.1 kB
out_A2FW_reference
15.1 kB
out_EBANDS.agr
9.3 MB
out_EDOS
994.4 kB
out_NOINTP_A2FEEW
729.2 MB
out_NOINTP_A2FW
27.1 kB
out_NOINTP_A2FW_reference
60.0 kB
out_NOINTP_PH_A2FW
187.7 kB
out_OUT.nc
25.9 kB
out_PHBANDS.agr
28.0 kB
out_PHBST.nc
10.1 MB
out_PHDOS.nc
10.1 MB
out_PHGAMMA
55.9 kB
out_PH_A2FW
187.7 kB
300K_fine
out_A2F.nc
17.7 MB
out_A2FW_reference
15.1 kB
out_EDOS
994.4 kB
out_NOINTP_A2FEEW
1.1 GB
out_NOINTP_A2FW
27.1 kB
out_NOINTP_A2FW_reference
15.1 kB
out_NOINTP_PH_A2FW
187.7 kB
out_OUT.nc
26.4 kB
out_PHBST.nc
10.2 MB
out_PHDOS.nc
10.1 MB
out_PHGAMMA
76.6 kB
run_eph.sh
791 Bytes
run_mrg.sh
847 Bytes
run_ph.sh
514 Bytes
run_scf_nscf.sh
629 Bytes
eph.py
12.2 kB
exp_phonon_bands.csv
8.6 kB
ph_dos.csv
5.9 kB
readme.md
1.6 kB
tools.py
2.0 kB