binci_2023_mc_archive.zip
binci_2023_mc_archive
calcHP_and_vcrelax
prnio3
1-DFT_U
b-type
1run
PrNiO3.scf.in
4.0 kB
PrNiO3.scf.out
1.3 MB
parameters.in
251 Bytes
2run
PrNiO3.scf.in
3.9 kB
PrNiO3.scf.out
767.2 kB
parameters.in
251 Bytes
calc_HP
PrNiO3.Hubbard_parameters.dat
78.8 kB
PrNiO3.hp.in
216 Bytes
PrNiO3.hp.out
788.4 kB
parameters.out
1.7 kB
relax
PrNiO3.vc-relax.in
4.2 kB
PrNiO3.vc-relax.out
3.4 MB
parameters.in
266 Bytes
ferro
1run
PrNiO3.scf.in
4.1 kB
PrNiO3.scf.out
1.2 MB
parameters.in
251 Bytes
calc_HP
PrNiO3.Hubbard_parameters.dat
78.8 kB
PrNiO3.hp.in
256 Bytes
PrNiO3.hp.out
806.0 kB
parameters.out
1.7 kB
relax
PrNiO3.vc-relax.in
4.3 kB
PrNiO3.vc-relax.out
2.3 MB
parameters.in
266 Bytes
s-type
1run
PrNiO3.scf.in
4.1 kB
PrNiO3.scf.out
1.2 MB
parameters.in
251 Bytes
calc_HP
PrNiO3.Hubbard_parameters.dat
78.8 kB
PrNiO3.hp.in
277 Bytes
PrNiO3.hp.out
817.7 kB
parameters.out
1.7 kB
relax
PrNiO3.vc-relax.in
4.3 kB
PrNiO3.vc-relax.out
10.0 MB
parameters.in
266 Bytes
t-type
1run
PrNiO3.scf.in
4.1 kB
PrNiO3.scf.out
1.2 MB
parameters.in
251 Bytes
calc_HP
PrNiO3.Hubbard_parameters.dat
78.8 kB
PrNiO3.hp.in
276 Bytes
PrNiO3.hp.out
815.2 kB
parameters.out
1.7 kB
relax
PrNiO3.vc-relax.in
4.3 kB
PrNiO3.vc-relax.out
10.8 MB
parameters.in
266 Bytes
2-DFT_UV
b-type
1run
PrNiO3.scf.in
4.0 kB
PrNiO3.scf.out
2.5 MB
parameters.in
1.5 kB
2run
PrNiO3.scf.in
3.9 kB
PrNiO3.scf.out
855.9 kB
parameters.in
1.5 kB
calc_HP
17-PrNiO3.hp.in
250 Bytes
17-PrNiO3.hp.out
558.2 kB
25-PrNiO3.hp.in
250 Bytes
25-PrNiO3.hp.out
560.2 kB
9-PrNiO3.hp.in
248 Bytes
9-PrNiO3.hp.out
556.2 kB
PrNiO3.Hubbard_parameters.dat
1.2 MB
PrNiO3.hp.in
216 Bytes
PrNiO3.hp.out
2.4 MB
hp-PrNiO3.hp.in
239 Bytes
hp-PrNiO3.hp.out
11.8 kB
parameters.out
1.7 kB
relax
PrNiO3.vc-relax.in
4.2 kB
PrNiO3.vc-relax.out
5.0 MB
parameters.in
1.7 kB
ferro
1run
PrNiO3.scf.in
4.1 kB
PrNiO3.scf.out
2.0 MB
parameters.in
1.5 kB
2run
PrNiO3.scf.in
4.0 kB
PrNiO3.scf.out
1.4 MB
parameters.in
1.5 kB
calc_HP
17-PrNiO3.hp.in
206 Bytes
17-PrNiO3.hp.out
582.5 kB
25-PrNiO3.hp.in
206 Bytes
25-PrNiO3.hp.out
578.6 kB
9-PrNiO3.hp.in
204 Bytes
9-PrNiO3.hp.out
572.6 kB
PrNiO3.Hubbard_parameters.dat
1.2 MB
PrNiO3.hp.in
172 Bytes
PrNiO3.hp.out
2.5 MB
hp-PrNiO3.hp.in
279 Bytes
hp-PrNiO3.hp.out
11.8 kB
parameters.out
1.7 kB
relax
PrNiO3.vc-relax.in
4.3 kB
PrNiO3.vc-relax.out
10.0 MB
parameters.in
1.7 kB
s-type-meta
1run
PrNiO3.scf.in
4.1 kB
PrNiO3.scf.out
2.1 MB
parameters.in
1.5 kB
2run
PrNiO3.scf.in
4.0 kB
PrNiO3.scf.out
855.6 kB
parameters.in
1.5 kB
calc_HP
17-PrNiO3.hp.in
311 Bytes
17-PrNiO3.hp.out
588.6 kB
25-PrNiO3.hp.in
311 Bytes
25-PrNiO3.hp.out
596.4 kB
9-PrNiO3.hp.in
309 Bytes
9-PrNiO3.hp.out
592.5 kB
PrNiO3.Hubbard_parameters.dat
1.2 MB
PrNiO3.hp.in
277 Bytes
PrNiO3.hp.out
1.8 MB
hp-PrNiO3.hp.in
298 Bytes
hp-PrNiO3.hp.out
11.8 kB
parameters.out
1.7 kB
relax
PrNiO3.vc-relax.in
4.3 kB
PrNiO3.vc-relax.out
39.5 MB
parameters.in
1.7 kB
s-type-true
1run
PrNiO3.scf.in
4.1 kB
PrNiO3.scf.out
2.0 MB
parameters.in
1.5 kB
2run
PrNiO3.scf.in
4.0 kB
PrNiO3.scf.out
884.4 kB
parameters.in
1.5 kB
calc_HP
17-PrNiO3.hp.in
311 Bytes
17-PrNiO3.hp.out
557.5 kB
25-PrNiO3.hp.in
311 Bytes
25-PrNiO3.hp.out
559.5 kB
9-PrNiO3.hp.in
309 Bytes
9-PrNiO3.hp.out
557.5 kB
PrNiO3.Hubbard_parameters.dat
1.2 MB
PrNiO3.hp.in
277 Bytes
PrNiO3.hp.out
2.2 MB
hp-PrNiO3.hp.in
300 Bytes
hp-PrNiO3.hp.out
11.8 kB
parameters.out
1.7 kB
relax
PrNiO3.vc-relax.in
4.3 kB
PrNiO3.vc-relax.out
60.0 MB
parameters.in
1.7 kB
t-type-meta
1run
PrNiO3.scf.in
4.1 kB
PrNiO3.scf.out
2.0 MB
parameters.in
1.5 kB
2run
PrNiO3.scf.in
4.0 kB
PrNiO3.scf.out
884.4 kB
parameters.in
1.5 kB
calc_HP
17-PrNiO3.hp.in
310 Bytes
17-PrNiO3.hp.out
588.6 kB
25-PrNiO3.hp.in
310 Bytes
25-PrNiO3.hp.out
592.5 kB
9-PrNiO3.hp.in
308 Bytes
9-PrNiO3.hp.out
590.6 kB
PrNiO3.Hubbard_parameters.dat
1.2 MB
PrNiO3.hp.in
276 Bytes
PrNiO3.hp.out
1.8 MB
hp-PrNiO3.hp.in
297 Bytes
hp-PrNiO3.hp.out
11.8 kB
parameters.out
1.7 kB
relax
PrNiO3.vc-relax.in
4.3 kB
PrNiO3.vc-relax.out
38.2 MB
parameters.in
1.7 kB
t-type-true
1run
PrNiO3.scf.in
4.1 kB
PrNiO3.scf.out
2.0 MB
parameters.in
1.5 kB
2run
PrNiO3.scf.in
4.0 kB
PrNiO3.scf.out
855.6 kB
parameters.in
1.5 kB
calc_HP
17-PrNiO3.hp.in
310 Bytes
17-PrNiO3.hp.out
557.3 kB
25-PrNiO3.hp.in
310 Bytes
25-PrNiO3.hp.out
559.3 kB
9-PrNiO3.hp.in
308 Bytes
9-PrNiO3.hp.out
557.3 kB
PrNiO3.Hubbard_parameters.dat
1.2 MB
PrNiO3.hp.in
276 Bytes
PrNiO3.hp.out
2.2 MB
hp-PrNiO3.hp.in
299 Bytes
hp-PrNiO3.hp.out
11.8 kB
parameters.out
1.7 kB
relax
1run
PrNiO3.vc-relax.out
63.4 MB
PrNiO3.vc-relax.in
4.3 kB
PrNiO3.vc-relax.out
3.0 MB
parameters.in
1.7 kB
ynio3
1-DFT_U
b-type
1run
YNiO3.scf.in
4.0 kB
YNiO3.scf.out
1.3 MB
2run
YNiO3.scf.in
4.0 kB
YNiO3.scf.out
775.6 kB
calc_HP
YNiO3.Hubbard_parameters.dat
63.3 kB
YNiO3.hp.in
213 Bytes
YNiO3.hp.out
790.3 kB
relax
YNiO3.vc-relax.in
4.2 kB
YNiO3.vc-relax.out
2.6 MB
ferro
1run
YNiO3.scf.in
2.6 kB
YNiO3.scf.out
785.6 kB
2run
YNiO3.scf.in
2.6 kB
YNiO3.scf.out
486.5 kB
calc_HP
YNiO3.Hubbard_parameters.dat
63.1 kB
YNiO3.hp.in
189 Bytes
YNiO3.hp.out
2.1 MB
relax
YNiO3.vc-relax.in
2.8 kB
YNiO3.vc-relax.out
1.6 MB
parameters.in
846 Bytes
s-type
1run
YNiO3.scf.in
4.1 kB
YNiO3.scf.out
1.2 MB
2run
YNiO3.scf.in
4.0 kB
YNiO3.scf.out
920.6 kB
calc_HP
YNiO3.Hubbard_parameters.dat
63.3 kB
YNiO3.hp.in
276 Bytes
YNiO3.hp.out
823.3 kB
relax
YNiO3.vc-relax.in
4.3 kB
YNiO3.vc-relax.out
6.3 MB
t-type
1run
YNiO3.scf.in
4.1 kB
YNiO3.scf.out
1.2 MB
2run
YNiO3.scf.in
4.0 kB
YNiO3.scf.out
876.2 kB
calc_HP
YNiO3.Hubbard_parameters.dat
63.3 kB
YNiO3.hp.in
275 Bytes
YNiO3.hp.out
809.5 kB
relax
YNiO3.vc-relax.in
4.3 kB
YNiO3.vc-relax.out
3.3 MB
2-DFT_UV
b-type
1run
YNiO3.scf.in
4.0 kB
YNiO3.scf.out
2.2 MB
parameters.in
1.7 kB
2run
YNiO3.scf.in
3.9 kB
YNiO3.scf.out
884.5 kB
parameters.in
1.7 kB
calc_HP
YNiO3.Hubbard_parameters.dat
1.2 MB
YNiO3.hp.in
238 Bytes
YNiO3.hp.out
11.8 kB
parameters.out
1.7 kB
relax
YNiO3.vc-relax.in
4.1 kB
YNiO3.vc-relax.out
7.5 MB
parameters.in
1.7 kB
ferro
1run
YNiO3.scf.in
2.6 kB
YNiO3.scf.out
1.0 MB
parameters.in
846 Bytes
2run
YNiO3.scf.in
2.6 kB
YNiO3.scf.out
1.1 MB
parameters.in
846 Bytes
calc_HP
YNiO3.Hubbard_parameters.dat
1.1 MB
YNiO3.hp.in
189 Bytes
YNiO3.hp.out
6.1 MB
parameters.out
846 Bytes
relax
YNiO3.vc-relax.in
2.7 kB
YNiO3.vc-relax.out
2.9 MB
parameters.in
846 Bytes
s-type-meta
1run
YNiO3.scf.in
4.1 kB
YNiO3.scf.out
2.0 MB
parameters.in
1.7 kB
2run
YNiO3.scf.in
4.0 kB
YNiO3.scf.out
885.0 kB
parameters.in
1.7 kB
calc_HP
2-YNiO3.hp.in
311 Bytes
2-YNiO3.hp.out
53.2 kB
YNiO3.Hubbard_parameters.dat
1.2 MB
YNiO3.hp.in
299 Bytes
YNiO3.hp.out
11.8 kB
parameters.out
1.7 kB
relax
YNiO3.vc-relax.in
4.2 kB
YNiO3.vc-relax.out
3.7 MB
parameters.in
1.7 kB
s-type-true
1run
YNiO3.scf.in
4.1 kB
YNiO3.scf.out
2.3 MB
parameters.in
1.7 kB
2run
YNiO3.scf.in
4.0 kB
YNiO3.scf.out
888.9 kB
parameters.in
1.7 kB
calc_HP
YNiO3.Hubbard_parameters.dat
1.2 MB
YNiO3.hp.in
299 Bytes
YNiO3.hp.out
11.8 kB
parameters.out
1.7 kB
relax
1run
YNiO3.vc-relax.in
4.2 kB
YNiO3.vc-relax.out
18.0 MB
2run
YNiO3.vc-relax.out
18.7 MB
YNiO3.vc-relax.in
4.2 kB
YNiO3.vc-relax.out
19.7 MB
parameters.in
1.7 kB
t-type-meta
1run
YNiO3.scf.in
4.1 kB
YNiO3.scf.out
2.0 MB
parameters.in
1.7 kB
2run
YNiO3.scf.in
4.0 kB
YNiO3.scf.out
856.2 kB
parameters.in
1.7 kB
calc_HP
2-YNiO3.hp.in
310 Bytes
2-YNiO3.hp.out
53.2 kB
YNiO3.Hubbard_parameters.dat
1.2 MB
YNiO3.hp.in
298 Bytes
YNiO3.hp.out
11.8 kB
parameters.out
1.7 kB
relax
YNiO3.vc-relax.in
4.2 kB
YNiO3.vc-relax.out
3.8 MB
parameters.in
1.7 kB
t-type-true
1run
YNiO3.scf.in
4.1 kB
YNiO3.scf.out
2.0 MB
parameters.in
1.7 kB
2run
YNiO3.scf.in
4.0 kB
YNiO3.scf.out
859.5 kB
parameters.in
1.7 kB
calc_HP
YNiO3.Hubbard_parameters.dat
1.2 MB
YNiO3.hp.in
299 Bytes
YNiO3.hp.out
11.8 kB
parameters.out
1.7 kB
relax
1run
YNiO3.vc-relax.in
4.2 kB
YNiO3.vc-relax.out
35.8 MB
YNiO3.vc-relax.in
4.2 kB
YNiO3.vc-relax.out
14.2 MB
parameters.in
1.7 kB
polarization
prnio3
b-type
PrNiO3.efield.in
4.0 kB
PrNiO3.efield.out
6.9 MB
PrNiO3.scf.in
4.0 kB
PrNiO3.scf.out
3.5 MB
parameters.in
1.7 kB
s-type-meta
PrNiO3.efield.in
4.0 kB
PrNiO3.efield.out
6.8 MB
PrNiO3.scf.in
4.0 kB
PrNiO3.scf.out
3.1 MB
parameters.in
2.0 kB
s-type-true
PrNiO3.efield.in
4.0 kB
PrNiO3.efield.out
6.8 MB
PrNiO3.scf.in
4.0 kB
PrNiO3.scf.out
3.1 MB
parameters.in
1.4 kB
t-type-meta
PrNiO3.efield.in
4.0 kB
PrNiO3.efield.out
6.9 MB
PrNiO3.scf.in
4.0 kB
PrNiO3.scf.out
3.1 MB
parameters.in
1.7 kB
t-type-true
PrNiO3.efield.in
4.0 kB
PrNiO3.efield.out
6.8 MB
PrNiO3.scf.in
4.0 kB
PrNiO3.scf.out
3.0 MB
parameters.in
1.4 kB
ynio3
b-type
YNiO3.efield.in
4.0 kB
YNiO3.efield.out
6.8 MB
YNiO3.scf.in
3.9 kB
YNiO3.scf.out
4.0 MB
parameters.in
1.7 kB
s-type-meta
YNiO3.efield.in
4.0 kB
YNiO3.efield.out
6.9 MB
YNiO3.scf.in
4.0 kB
YNiO3.scf.out
3.0 MB
parameters.in
1.7 kB
s-type-true
YNiO3.efield.in
4.0 kB
YNiO3.efield.out
6.8 MB
YNiO3.scf.in
4.0 kB
YNiO3.scf.out
3.4 MB
parameters.in
2.0 kB
t-type-meta
YNiO3.efield.in
4.0 kB
YNiO3.efield.out
6.8 MB
YNiO3.scf.in
4.0 kB
YNiO3.scf.out
3.1 MB
parameters.in
1.7 kB
t-type-true
YNiO3.efield.in
4.0 kB
YNiO3.efield.out
6.8 MB
YNiO3.scf.in
4.0 kB
YNiO3.scf.out
3.1 MB
parameters.in
2.0 kB