Benchmark_calculations.zip
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Materials_Cloud_Upload
DFTU_q_conv_test
Nb4N4O4_mp-7596
first_scfu
29_1st.pbs
373 Bytes
29_1st.pbs.o24272534
144 Bytes
dftu.in
1.8 kB
dftu.out
144.7 kB
q1_hp
29_hp.pbs
370 Bytes
29_hp.pbs.o24397835
144 Bytes
dftu.in
183 Bytes
dftu.out
15.3 MB
pwscf.Hubbard_parameters.dat
196.4 MB
rysnc.sh
527 Bytes
q2_hp
29_hp.pbs
370 Bytes
29_hp.pbs.o24272987
144 Bytes
dftu.in
183 Bytes
dftu.out
1.5 MB
pwscf.Hubbard_parameters.dat
1.3 MB
rysnc.sh
527 Bytes
q3_hp
29_hp.pbs
370 Bytes
29_hp.pbs.o24392935
144 Bytes
29_hp.pbs~
370 Bytes
dftu.in
183 Bytes
dftu.in~
183 Bytes
dftu.out
412.2 kB
pwscf.Hubbard_parameters.dat
36.4 kB
rysnc.sh
527 Bytes
q4_hp
29_hp.pbs
370 Bytes
29_hp.pbs.o24392936
144 Bytes
29_hp.pbs~
370 Bytes
dftu.in
183 Bytes
dftu.in~
183 Bytes
dftu.out
278.0 kB
pwscf.Hubbard_parameters.dat
10.1 kB
rysnc.sh
527 Bytes
vc_relax
29_vc.pbs
373 Bytes
29_vc.pbs.o24272163
144 Bytes
dftu.in
1.6 kB
dftu.out
1.2 MB
README.txt
678 Bytes
README.txt~
498 Bytes
Ti2O4_mp-2657
first_scfu
0_1st.pbs
373 Bytes
0_1st.pbs.o24272500
144 Bytes
dftu.in
1.5 kB
dftu.out
85.6 kB
q1_hp
0_hp.pbs
370 Bytes
0_hp.pbs.o24392884
144 Bytes
0_hp.pbs~
370 Bytes
dftu.in
183 Bytes
dftu.in~
183 Bytes
dftu.out
11.2 MB
pwscf.Hubbard_parameters.dat
229.1 MB
rysnc.sh
523 Bytes
q2_hp
0_hp.pbs
370 Bytes
0_hp.pbs.o24272904
144 Bytes
dftu.in
183 Bytes
dftu.out
1.6 MB
pwscf.Hubbard_parameters.dat
2.8 MB
rysnc.sh
523 Bytes
q3_hp
0_hp.pbs
370 Bytes
0_hp.pbs.o24392886
144 Bytes
0_hp.pbs~
370 Bytes
dftu.in
183 Bytes
dftu.in~
183 Bytes
dftu.out
710.5 kB
pwscf.Hubbard_parameters.dat
315.8 kB
rysnc.sh
523 Bytes
q4_hp
0_hp.pbs
370 Bytes
0_hp.pbs.o24392887
144 Bytes
0_hp.pbs~
370 Bytes
dftu.in
183 Bytes
dftu.in~
183 Bytes
dftu.out
194.2 kB
pwscf.Hubbard_parameters.dat
9.7 kB
rysnc.sh
523 Bytes
vc_relax
0_vc.pbs
373 Bytes
0_vc.pbs.o24271971
144 Bytes
0_vc.pbs~
375 Bytes
dftu.in
1.4 kB
dftu.out
320.1 kB
Y2S1O2_mp-12894
first_scfu
32_1st.pbs
373 Bytes
32_1st.pbs.o24272536
144 Bytes
dftu.in
1.5 kB
dftu.out
65.9 kB
q1_hp
32_hp.pbs
370 Bytes
32_hp.pbs.o24392951
144 Bytes
32_hp.pbs~
370 Bytes
dftu.in
183 Bytes
dftu.in~
183 Bytes
dftu.out
7.3 MB
pwscf.Hubbard_parameters.dat
99.3 MB
rysnc.sh
527 Bytes
q2_hp
32_hp.pbs
370 Bytes
32_hp.pbs.o24272994
144 Bytes
dftu.in
183 Bytes
dftu.out
1.3 MB
pwscf.Hubbard_parameters.dat
1.6 MB
rysnc.sh
527 Bytes
q3_hp
32_hp.pbs
370 Bytes
32_hp.pbs.o24392954
144 Bytes
32_hp.pbs~
370 Bytes
dftu.in
183 Bytes
dftu.in~
183 Bytes
dftu.out
217.4 kB
pwscf.Hubbard_parameters.dat
25.2 kB
rysnc.sh
527 Bytes
vc_relax
32_vc.pbs
373 Bytes
32_vc.pbs.o24272166
144 Bytes
dftu.in
1.3 kB
dftu.out
306.3 kB
DFT_PDOS
Ge4N4O2_mp-4187
PDOS
dos
31_dos.pbs~
358 Bytes
Ge2N2O.dos
13.3 kB
dftu.in
89 Bytes
dftu.in~
0 Bytes
dftu.out
1.7 kB
nscf
dftu.in
1.5 kB
dftu.in~
1.5 kB
dftu.out
92.4 kB
pdos
31_pdos.pbs~
359 Bytes
dftu.in
143 Bytes
dftu.in~
89 Bytes
dftu.out
1.7 MB
pwscf.pdos_atm#1(O)_wfc#1(s)
9.2 kB
pwscf.pdos_atm#1(O)_wfc#2(p)
15.7 kB
pwscf.pdos_atm#10(Ge)_wfc#1(d)
22.3 kB
pwscf.pdos_atm#10(Ge)_wfc#2(s)
9.2 kB
pwscf.pdos_atm#10(Ge)_wfc#3(p)
15.7 kB
pwscf.pdos_atm#2(O)_wfc#1(s)
9.2 kB
pwscf.pdos_atm#2(O)_wfc#2(p)
15.7 kB
pwscf.pdos_atm#3(N)_wfc#1(s)
9.2 kB
pwscf.pdos_atm#3(N)_wfc#2(p)
15.7 kB
pwscf.pdos_atm#4(N)_wfc#1(s)
9.2 kB
pwscf.pdos_atm#4(N)_wfc#2(p)
15.7 kB
pwscf.pdos_atm#5(N)_wfc#1(s)
9.2 kB
pwscf.pdos_atm#5(N)_wfc#2(p)
15.7 kB
pwscf.pdos_atm#6(N)_wfc#1(s)
9.2 kB
pwscf.pdos_atm#6(N)_wfc#2(p)
15.7 kB
pwscf.pdos_atm#7(Ge)_wfc#1(d)
22.3 kB
pwscf.pdos_atm#7(Ge)_wfc#2(s)
9.2 kB
pwscf.pdos_atm#7(Ge)_wfc#3(p)
15.7 kB
pwscf.pdos_atm#8(Ge)_wfc#1(d)
22.3 kB
pwscf.pdos_atm#8(Ge)_wfc#2(s)
9.2 kB
pwscf.pdos_atm#8(Ge)_wfc#3(p)
15.7 kB
pwscf.pdos_atm#9(Ge)_wfc#1(d)
22.3 kB
pwscf.pdos_atm#9(Ge)_wfc#2(s)
9.2 kB
pwscf.pdos_atm#9(Ge)_wfc#3(p)
15.7 kB
pwscf.pdos_tot
9.2 kB
scf
dftu.in
1.5 kB
dftu.in~
1.6 kB
dftu.out
90.4 kB
Hf1S2_mp-985829
PDOS
dos
20_dos.pbs~
358 Bytes
HfS2.dos
13.3 kB
dftu.in
87 Bytes
dftu.in~
0 Bytes
dftu.out
1.8 kB
nscf
dftu.in
1.0 kB
dftu.in~
1.0 kB
dftu.out
94.5 kB
pdos
20_pdos.pbs~
359 Bytes
dftu.in
143 Bytes
dftu.in~
87 Bytes
dftu.out
616.6 kB
pwscf.pdos_atm#1(S)_wfc#1(s)
8.1 kB
pwscf.pdos_atm#1(S)_wfc#2(p)
13.8 kB
pwscf.pdos_atm#2(S)_wfc#1(s)
8.1 kB
pwscf.pdos_atm#2(S)_wfc#2(p)
13.8 kB
pwscf.pdos_atm#3(Hf)_wfc#1(s)
8.1 kB
pwscf.pdos_atm#3(Hf)_wfc#2(p)
13.8 kB
pwscf.pdos_atm#3(Hf)_wfc#3(s)
8.1 kB
pwscf.pdos_atm#3(Hf)_wfc#4(p)
13.8 kB
pwscf.pdos_atm#3(Hf)_wfc#5(d)
19.6 kB
pwscf.pdos_tot
8.1 kB
scf
dftu.in
1.0 kB
dftu.out
86.2 kB
Hf4O8_mp-352
PDOS
dos
HfO2.dos
13.3 kB
dftu.in
87 Bytes
dftu.in~
88 Bytes
dftu.out
1.8 kB
nscf
dftu.in
1.5 kB
dftu.in~
1.4 kB
dftu.out
69.0 kB
pdos
dftu.in
143 Bytes
dftu.in~
144 Bytes
dftu.out
1.8 MB
pwscf.pdos_atm#1(O)_wfc#1(s)
7.4 kB
pwscf.pdos_atm#1(O)_wfc#2(p)
12.6 kB
pwscf.pdos_atm#10(Hf)_wfc#1(s)
7.4 kB
pwscf.pdos_atm#10(Hf)_wfc#2(p)
12.6 kB
pwscf.pdos_atm#10(Hf)_wfc#3(s)
7.4 kB
pwscf.pdos_atm#10(Hf)_wfc#4(p)
12.6 kB
pwscf.pdos_atm#10(Hf)_wfc#5(d)
17.9 kB
pwscf.pdos_atm#11(Hf)_wfc#1(s)
7.4 kB
pwscf.pdos_atm#11(Hf)_wfc#2(p)
12.6 kB
pwscf.pdos_atm#11(Hf)_wfc#3(s)
7.4 kB
pwscf.pdos_atm#11(Hf)_wfc#4(p)
12.6 kB
pwscf.pdos_atm#11(Hf)_wfc#5(d)
17.9 kB
pwscf.pdos_atm#12(Hf)_wfc#1(s)
7.4 kB
pwscf.pdos_atm#12(Hf)_wfc#2(p)
12.6 kB
pwscf.pdos_atm#12(Hf)_wfc#3(s)
7.4 kB
pwscf.pdos_atm#12(Hf)_wfc#4(p)
12.6 kB
pwscf.pdos_atm#12(Hf)_wfc#5(d)
17.9 kB
pwscf.pdos_atm#2(O)_wfc#1(s)
7.4 kB
pwscf.pdos_atm#2(O)_wfc#2(p)
12.6 kB
pwscf.pdos_atm#3(O)_wfc#1(s)
7.4 kB
pwscf.pdos_atm#3(O)_wfc#2(p)
12.6 kB
pwscf.pdos_atm#4(O)_wfc#1(s)
7.4 kB
pwscf.pdos_atm#4(O)_wfc#2(p)
12.6 kB
pwscf.pdos_atm#5(O)_wfc#1(s)
7.4 kB
pwscf.pdos_atm#5(O)_wfc#2(p)
12.6 kB
pwscf.pdos_atm#6(O)_wfc#1(s)
7.4 kB
pwscf.pdos_atm#6(O)_wfc#2(p)
12.6 kB
pwscf.pdos_atm#7(O)_wfc#1(s)
7.4 kB
pwscf.pdos_atm#7(O)_wfc#2(p)
12.6 kB
pwscf.pdos_atm#8(O)_wfc#1(s)
7.4 kB
pwscf.pdos_atm#8(O)_wfc#2(p)
12.6 kB
pwscf.pdos_atm#9(Hf)_wfc#1(s)
7.4 kB
pwscf.pdos_atm#9(Hf)_wfc#2(p)
12.6 kB
pwscf.pdos_atm#9(Hf)_wfc#3(s)
7.4 kB
pwscf.pdos_atm#9(Hf)_wfc#4(p)
12.6 kB
pwscf.pdos_atm#9(Hf)_wfc#5(d)
17.9 kB
pwscf.pdos_tot
7.4 kB
scf
dftu.in
1.5 kB
dftu.in~
1.4 kB
dftu.out
69.9 kB
In2N2_mp-22205
PDOS
dos
16_dos.pbs~
358 Bytes
InN.dos
13.3 kB
dftu.in
86 Bytes
dftu.out
1.8 kB
nscf
dftu.in
1.2 kB
dftu.in~
1.2 kB
dftu.out
42.5 kB
pdos
16_pdos.pbs~
359 Bytes
dftu.in
143 Bytes
dftu.in~
86 Bytes
dftu.out
266.1 kB
pwscf.pdos_atm#1(N)_wfc#1(s)
7.9 kB
pwscf.pdos_atm#1(N)_wfc#2(p)
13.5 kB
pwscf.pdos_atm#2(N)_wfc#1(s)
7.9 kB
pwscf.pdos_atm#2(N)_wfc#2(p)
13.5 kB
pwscf.pdos_atm#3(In)_wfc#1(d)
19.1 kB
pwscf.pdos_atm#3(In)_wfc#2(s)
7.9 kB
pwscf.pdos_atm#3(In)_wfc#3(p)
13.5 kB
pwscf.pdos_atm#4(In)_wfc#1(d)
19.1 kB
pwscf.pdos_atm#4(In)_wfc#2(s)
7.9 kB
pwscf.pdos_atm#4(In)_wfc#3(p)
13.5 kB
pwscf.pdos_tot
7.9 kB
scf
dftu.in
1.2 kB
dftu.in~
1.6 kB
dftu.out
43.1 kB
Mo2S6_mp-1239169
PDOS
dos
21_dos.pbs
353 Bytes
MoS3.dos
13.3 kB
dftu.in
88 Bytes
dftu.in~
88 Bytes
dftu.out
1.7 kB
nscf
21_nscf.pbs
352 Bytes
dftu.in
1.4 kB
dftu.out
54.5 kB
pdos
21_pdos.pbs
357 Bytes
dftu.in
143 Bytes
dftu.in~
144 Bytes
dftu.out
734.9 kB
pwscf.pdos_atm#1(S)_wfc#1(s)
7.0 kB
pwscf.pdos_atm#1(S)_wfc#2(p)
12.0 kB
pwscf.pdos_atm#2(S)_wfc#1(s)
7.0 kB
pwscf.pdos_atm#2(S)_wfc#2(p)
12.0 kB
pwscf.pdos_atm#3(S)_wfc#1(s)
7.0 kB
pwscf.pdos_atm#3(S)_wfc#2(p)
12.0 kB
pwscf.pdos_atm#4(S)_wfc#1(s)
7.0 kB
pwscf.pdos_atm#4(S)_wfc#2(p)
12.0 kB
pwscf.pdos_atm#5(S)_wfc#1(s)
7.0 kB
pwscf.pdos_atm#5(S)_wfc#2(p)
12.0 kB
pwscf.pdos_atm#6(S)_wfc#1(s)
7.0 kB
pwscf.pdos_atm#6(S)_wfc#2(p)
12.0 kB
pwscf.pdos_atm#7(Mo)_wfc#1(s)
7.0 kB
pwscf.pdos_atm#7(Mo)_wfc#2(p)
12.0 kB
pwscf.pdos_atm#7(Mo)_wfc#3(d)
17.0 kB
pwscf.pdos_atm#7(Mo)_wfc#4(s)
7.0 kB
pwscf.pdos_atm#7(Mo)_wfc#5(p)
12.0 kB
pwscf.pdos_atm#8(Mo)_wfc#1(s)
7.0 kB
pwscf.pdos_atm#8(Mo)_wfc#2(p)
12.0 kB
pwscf.pdos_atm#8(Mo)_wfc#3(d)
17.0 kB
pwscf.pdos_atm#8(Mo)_wfc#4(s)
7.0 kB
pwscf.pdos_atm#8(Mo)_wfc#5(p)
12.0 kB
pwscf.pdos_tot
7.0 kB
scf
21_scf.pbs
352 Bytes
dftu.in
1.4 kB
dftu.out
55.5 kB
Nb4N4O4_mp-7596
PDOS
dos
29_dos.pbs
353 Bytes
NbNO.dos
13.3 kB
dftu.in
87 Bytes
dftu.in~
88 Bytes
dftu.out
1.8 kB
nscf
29_nscf.pbs
352 Bytes
dftu.in
1.6 kB
dftu.in~
1.4 kB
dftu.out
82.3 kB
pdos
29_pdos.pbs
357 Bytes
dftu.in
143 Bytes
dftu.in~
144 Bytes
dftu.out
2.3 MB
pwscf.pdos_atm#1(O)_wfc#1(s)
10.4 kB
pwscf.pdos_atm#1(O)_wfc#2(p)
17.9 kB
pwscf.pdos_atm#10(Nb)_wfc#1(s)
10.4 kB
pwscf.pdos_atm#10(Nb)_wfc#2(p)
17.9 kB
pwscf.pdos_atm#10(Nb)_wfc#3(d)
25.3 kB
pwscf.pdos_atm#10(Nb)_wfc#4(s)
10.4 kB
pwscf.pdos_atm#10(Nb)_wfc#5(p)
17.9 kB
pwscf.pdos_atm#11(Nb)_wfc#1(s)
10.4 kB
pwscf.pdos_atm#11(Nb)_wfc#2(p)
17.9 kB
pwscf.pdos_atm#11(Nb)_wfc#3(d)
25.3 kB
pwscf.pdos_atm#11(Nb)_wfc#4(s)
10.4 kB
pwscf.pdos_atm#11(Nb)_wfc#5(p)
17.9 kB
pwscf.pdos_atm#12(Nb)_wfc#1(s)
10.4 kB
pwscf.pdos_atm#12(Nb)_wfc#2(p)
17.9 kB
pwscf.pdos_atm#12(Nb)_wfc#3(d)
25.3 kB
pwscf.pdos_atm#12(Nb)_wfc#4(s)
10.4 kB
pwscf.pdos_atm#12(Nb)_wfc#5(p)
17.9 kB
pwscf.pdos_atm#2(O)_wfc#1(s)
10.4 kB
pwscf.pdos_atm#2(O)_wfc#2(p)
17.9 kB
pwscf.pdos_atm#3(O)_wfc#1(s)
10.4 kB
pwscf.pdos_atm#3(O)_wfc#2(p)
17.9 kB
pwscf.pdos_atm#4(O)_wfc#1(s)
10.4 kB
pwscf.pdos_atm#4(O)_wfc#2(p)
17.9 kB
pwscf.pdos_atm#5(N)_wfc#1(s)
10.4 kB
pwscf.pdos_atm#5(N)_wfc#2(p)
17.9 kB
pwscf.pdos_atm#6(N)_wfc#1(s)
10.4 kB
pwscf.pdos_atm#6(N)_wfc#2(p)
17.9 kB
pwscf.pdos_atm#7(N)_wfc#1(s)
10.4 kB
pwscf.pdos_atm#7(N)_wfc#2(p)
17.9 kB
pwscf.pdos_atm#8(N)_wfc#1(s)
10.4 kB
pwscf.pdos_atm#8(N)_wfc#2(p)
17.9 kB
pwscf.pdos_atm#9(Nb)_wfc#1(s)
10.4 kB
pwscf.pdos_atm#9(Nb)_wfc#2(p)
17.9 kB
pwscf.pdos_atm#9(Nb)_wfc#3(d)
25.3 kB
pwscf.pdos_atm#9(Nb)_wfc#4(s)
10.4 kB
pwscf.pdos_atm#9(Nb)_wfc#5(p)
17.9 kB
pwscf.pdos_tot
10.4 kB
scf
29_scf.pbs
352 Bytes
dftu.in
1.6 kB
dftu.in~
1.4 kB
dftu.out
83.3 kB
Pb2O4_mp-20725
PDOS
dos
9_dos.pbs
359 Bytes
9_dos.pbs~
358 Bytes
PbO2.dos
13.3 kB
dftu.in
87 Bytes
dftu.in~
0 Bytes
dftu.out
1.8 kB
nscf
9_nscf.pbs
358 Bytes
dftu.in
1.3 kB
dftu.in~
1.3 kB
dftu.out
45.3 kB
pdos
9_pdos.pbs
363 Bytes
9_pdos.pbs~
359 Bytes
dftu.in
142 Bytes
dftu.in~
87 Bytes
dftu.out
354.8 kB
pwscf.pdos_atm#1(O)_wfc#1(s)
9.1 kB
pwscf.pdos_atm#1(O)_wfc#2(p)
15.6 kB
pwscf.pdos_atm#2(O)_wfc#1(s)
9.1 kB
pwscf.pdos_atm#2(O)_wfc#2(p)
15.6 kB
pwscf.pdos_atm#3(O)_wfc#1(s)
9.1 kB
pwscf.pdos_atm#3(O)_wfc#2(p)
15.6 kB
pwscf.pdos_atm#4(O)_wfc#1(s)
9.1 kB
pwscf.pdos_atm#4(O)_wfc#2(p)
15.6 kB
pwscf.pdos_atm#5(Pb)_wfc#1(d)
22.1 kB
pwscf.pdos_atm#5(Pb)_wfc#2(s)
9.1 kB
pwscf.pdos_atm#5(Pb)_wfc#3(p)
15.6 kB
pwscf.pdos_atm#6(Pb)_wfc#1(d)
22.1 kB
pwscf.pdos_atm#6(Pb)_wfc#2(s)
9.1 kB
pwscf.pdos_atm#6(Pb)_wfc#3(p)
15.6 kB
pwscf.pdos_tot
9.1 kB
scf
9_scf.pbs
358 Bytes
dftu.in
1.3 kB
dftu.in~
1.6 kB
dftu.out
46.5 kB
README.txt
486 Bytes
README.txt~
92 Bytes
Sn1S2_mp-1170
PDOS
dos
25_dos.pbs
359 Bytes
25_dos.pbs~
358 Bytes
SnS2.dos
13.3 kB
dftu.in
87 Bytes
dftu.in~
0 Bytes
dftu.out
1.7 kB
nscf
25_nscf.pbs
358 Bytes
dftu.in
1.2 kB
dftu.in~
1.2 kB
dftu.out
37.7 kB
pdos
25_pdos.pbs
363 Bytes
25_pdos.pbs~
359 Bytes
dftu.in
143 Bytes
dftu.in~
87 Bytes
dftu.out
125.8 kB
pwscf.pdos_atm#1(S)_wfc#1(s)
8.7 kB
pwscf.pdos_atm#1(S)_wfc#2(p)
14.8 kB
pwscf.pdos_atm#2(S)_wfc#1(s)
8.7 kB
pwscf.pdos_atm#2(S)_wfc#2(p)
14.8 kB
pwscf.pdos_atm#3(Sn)_wfc#1(d)
20.9 kB
pwscf.pdos_atm#3(Sn)_wfc#2(s)
8.7 kB
pwscf.pdos_atm#3(Sn)_wfc#3(p)
14.8 kB
pwscf.pdos_tot
8.6 kB
scf
25_scf.pbs
358 Bytes
dftu.in
1.2 kB
dftu.in~
1.6 kB
dftu.out
38.0 kB
Sn2O4_mp-856
PDOS
dos
8_dos.pbs
359 Bytes
8_dos.pbs~
358 Bytes
SnO2.dos
13.3 kB
dftu.in
87 Bytes
dftu.in~
0 Bytes
dftu.out
1.7 kB
nscf
8_nscf.pbs
358 Bytes
dftu.in
1.3 kB
dftu.in~
1.3 kB
dftu.out
87.4 kB
pdos
8_pdos.pbs
363 Bytes
8_pdos.pbs~
359 Bytes
dftu.in
141 Bytes
dftu.in~
87 Bytes
dftu.out
865.1 kB
pwscf.pdos_atm#1(O)_wfc#1(s)
9.7 kB
pwscf.pdos_atm#1(O)_wfc#2(p)
16.6 kB
pwscf.pdos_atm#2(O)_wfc#1(s)
9.7 kB
pwscf.pdos_atm#2(O)_wfc#2(p)
16.6 kB
pwscf.pdos_atm#3(O)_wfc#1(s)
9.7 kB
pwscf.pdos_atm#3(O)_wfc#2(p)
16.6 kB
pwscf.pdos_atm#4(O)_wfc#1(s)
9.7 kB
pwscf.pdos_atm#4(O)_wfc#2(p)
16.6 kB
pwscf.pdos_atm#5(Sn)_wfc#1(d)
23.6 kB
pwscf.pdos_atm#5(Sn)_wfc#2(s)
9.7 kB
pwscf.pdos_atm#5(Sn)_wfc#3(p)
16.6 kB
pwscf.pdos_atm#6(Sn)_wfc#1(d)
23.6 kB
pwscf.pdos_atm#6(Sn)_wfc#2(s)
9.7 kB
pwscf.pdos_atm#6(Sn)_wfc#3(p)
16.6 kB
pwscf.pdos_tot
9.7 kB
scf
8_scf.pbs
358 Bytes
dftu.in
1.3 kB
dftu.in~
1.6 kB
dftu.out
83.2 kB
Sn6N8_mp-16031
PDOS
dos
17_dos.pbs
353 Bytes
Sn3N4.dos
13.3 kB
dftu.in
89 Bytes
dftu.in~
88 Bytes
dftu.out
1.7 kB
nscf
17_nscf.pbs
352 Bytes
dftu.in
1.6 kB
dftu.in~
1.4 kB
dftu.out
50.9 kB
pdos
17_pdos.pbs
357 Bytes
dftu.in
144 Bytes
dftu.out
496.3 kB
pwscf.pdos_atm#1(N)_wfc#1(s)
9.2 kB
pwscf.pdos_atm#1(N)_wfc#2(p)
15.8 kB
pwscf.pdos_atm#10(Sn)_wfc#1(d)
22.4 kB
pwscf.pdos_atm#10(Sn)_wfc#2(s)
9.2 kB
pwscf.pdos_atm#10(Sn)_wfc#3(p)
15.8 kB
pwscf.pdos_atm#11(Sn)_wfc#1(d)
22.4 kB
pwscf.pdos_atm#11(Sn)_wfc#2(s)
9.2 kB
pwscf.pdos_atm#11(Sn)_wfc#3(p)
15.8 kB
pwscf.pdos_atm#12(Sn)_wfc#1(d)
22.4 kB
pwscf.pdos_atm#12(Sn)_wfc#2(s)
9.2 kB
pwscf.pdos_atm#12(Sn)_wfc#3(p)
15.8 kB
pwscf.pdos_atm#13(Sn)_wfc#1(d)
22.4 kB
pwscf.pdos_atm#13(Sn)_wfc#2(s)
9.2 kB
pwscf.pdos_atm#13(Sn)_wfc#3(p)
15.8 kB
pwscf.pdos_atm#14(Sn)_wfc#1(d)
22.4 kB
pwscf.pdos_atm#14(Sn)_wfc#2(s)
9.2 kB
pwscf.pdos_atm#14(Sn)_wfc#3(p)
15.8 kB
pwscf.pdos_atm#2(N)_wfc#1(s)
9.2 kB
pwscf.pdos_atm#2(N)_wfc#2(p)
15.8 kB
pwscf.pdos_atm#3(N)_wfc#1(s)
9.2 kB
pwscf.pdos_atm#3(N)_wfc#2(p)
15.8 kB
pwscf.pdos_atm#4(N)_wfc#1(s)
9.2 kB
pwscf.pdos_atm#4(N)_wfc#2(p)
15.8 kB
pwscf.pdos_atm#5(N)_wfc#1(s)
9.2 kB
pwscf.pdos_atm#5(N)_wfc#2(p)
15.8 kB
pwscf.pdos_atm#6(N)_wfc#1(s)
9.2 kB
pwscf.pdos_atm#6(N)_wfc#2(p)
15.8 kB
pwscf.pdos_atm#7(N)_wfc#1(s)
9.2 kB
pwscf.pdos_atm#7(N)_wfc#2(p)
15.8 kB
pwscf.pdos_atm#8(N)_wfc#1(s)
9.2 kB
pwscf.pdos_atm#8(N)_wfc#2(p)
15.8 kB
pwscf.pdos_atm#9(Sn)_wfc#1(d)
22.4 kB
pwscf.pdos_atm#9(Sn)_wfc#2(s)
9.2 kB
pwscf.pdos_atm#9(Sn)_wfc#3(p)
15.8 kB
pwscf.pdos_tot
9.2 kB
scf
17_scf.pbs
352 Bytes
dftu.in
1.6 kB
dftu.in~
1.4 kB
dftu.out
54.0 kB
Ta4N4O4_mp-4165
PDOS
dos
30_dos.pbs
359 Bytes
30_dos.pbs~
358 Bytes
TaNO.dos
13.3 kB
dftu.in
86 Bytes
dftu.in~
0 Bytes
dftu.out
1.8 kB
nscf
30_nscf.pbs
358 Bytes
dftu.in
1.6 kB
dftu.in~
1.6 kB
dftu.out
82.3 kB
pdos
30_pdos.pbs
363 Bytes
30_pdos.pbs~
359 Bytes
dftu.in
141 Bytes
dftu.in~
86 Bytes
dftu.out
2.3 MB
pwscf.pdos_atm#1(Ta)_wfc#1(s)
8.1 kB
pwscf.pdos_atm#1(Ta)_wfc#2(p)
13.8 kB
pwscf.pdos_atm#1(Ta)_wfc#3(d)
19.5 kB
pwscf.pdos_atm#1(Ta)_wfc#4(s)
8.1 kB
pwscf.pdos_atm#1(Ta)_wfc#5(p)
13.8 kB
pwscf.pdos_atm#10(N)_wfc#1(s)
8.1 kB
pwscf.pdos_atm#10(N)_wfc#2(p)
13.8 kB
pwscf.pdos_atm#11(N)_wfc#1(s)
8.1 kB
pwscf.pdos_atm#11(N)_wfc#2(p)
13.8 kB
pwscf.pdos_atm#12(N)_wfc#1(s)
8.1 kB
pwscf.pdos_atm#12(N)_wfc#2(p)
13.8 kB
pwscf.pdos_atm#2(Ta)_wfc#1(s)
8.1 kB
pwscf.pdos_atm#2(Ta)_wfc#2(p)
13.8 kB
pwscf.pdos_atm#2(Ta)_wfc#3(d)
19.5 kB
pwscf.pdos_atm#2(Ta)_wfc#4(s)
8.1 kB
pwscf.pdos_atm#2(Ta)_wfc#5(p)
13.8 kB
pwscf.pdos_atm#3(Ta)_wfc#1(s)
8.1 kB
pwscf.pdos_atm#3(Ta)_wfc#2(p)
13.8 kB
pwscf.pdos_atm#3(Ta)_wfc#3(d)
19.5 kB
pwscf.pdos_atm#3(Ta)_wfc#4(s)
8.1 kB
pwscf.pdos_atm#3(Ta)_wfc#5(p)
13.8 kB
pwscf.pdos_atm#4(Ta)_wfc#1(s)
8.1 kB
pwscf.pdos_atm#4(Ta)_wfc#2(p)
13.8 kB
pwscf.pdos_atm#4(Ta)_wfc#3(d)
19.5 kB
pwscf.pdos_atm#4(Ta)_wfc#4(s)
8.1 kB
pwscf.pdos_atm#4(Ta)_wfc#5(p)
13.8 kB
pwscf.pdos_atm#5(O)_wfc#1(s)
8.1 kB
pwscf.pdos_atm#5(O)_wfc#2(p)
13.8 kB
pwscf.pdos_atm#6(O)_wfc#1(s)
8.1 kB
pwscf.pdos_atm#6(O)_wfc#2(p)
13.8 kB
pwscf.pdos_atm#7(O)_wfc#1(s)
8.1 kB
pwscf.pdos_atm#7(O)_wfc#2(p)
13.8 kB
pwscf.pdos_atm#8(O)_wfc#1(s)
8.1 kB
pwscf.pdos_atm#8(O)_wfc#2(p)
13.8 kB
pwscf.pdos_atm#9(N)_wfc#1(s)
8.1 kB
pwscf.pdos_atm#9(N)_wfc#2(p)
13.8 kB
pwscf.pdos_tot
8.1 kB
scf
30_scf.pbs
358 Bytes
dftu.in
1.6 kB
dftu.in~
1.6 kB
dftu.out
83.0 kB
Ta4O10_mp-10390
PDOS
dos
4_dos.pbs
359 Bytes
4_dos.pbs~
358 Bytes
Ta2O5.dos
13.3 kB
dftu.in
87 Bytes
dftu.in~
0 Bytes
dftu.out
1.8 kB
nscf
4_nscf.pbs
358 Bytes
dftu.in
1.6 kB
dftu.in~
1.6 kB
dftu.out
111.4 kB
pdos
4_pdos.pbs
363 Bytes
4_pdos.pbs~
359 Bytes
dftu.in
141 Bytes
dftu.in~
87 Bytes
dftu.out
3.4 MB
pwscf.pdos_atm#1(Ta)_wfc#1(s)
7.9 kB
pwscf.pdos_atm#1(Ta)_wfc#2(p)
13.6 kB
pwscf.pdos_atm#1(Ta)_wfc#3(d)
19.2 kB
pwscf.pdos_atm#1(Ta)_wfc#4(s)
7.9 kB
pwscf.pdos_atm#1(Ta)_wfc#5(p)
13.6 kB
pwscf.pdos_atm#10(O)_wfc#1(s)
7.9 kB
pwscf.pdos_atm#10(O)_wfc#2(p)
13.6 kB
pwscf.pdos_atm#11(O)_wfc#1(s)
7.9 kB
pwscf.pdos_atm#11(O)_wfc#2(p)
13.6 kB
pwscf.pdos_atm#12(O)_wfc#1(s)
7.9 kB
pwscf.pdos_atm#12(O)_wfc#2(p)
13.6 kB
pwscf.pdos_atm#13(O)_wfc#1(s)
7.9 kB
pwscf.pdos_atm#13(O)_wfc#2(p)
13.6 kB
pwscf.pdos_atm#14(O)_wfc#1(s)
7.9 kB
pwscf.pdos_atm#14(O)_wfc#2(p)
13.6 kB
pwscf.pdos_atm#2(Ta)_wfc#1(s)
7.9 kB
pwscf.pdos_atm#2(Ta)_wfc#2(p)
13.6 kB
pwscf.pdos_atm#2(Ta)_wfc#3(d)
19.2 kB
pwscf.pdos_atm#2(Ta)_wfc#4(s)
7.9 kB
pwscf.pdos_atm#2(Ta)_wfc#5(p)
13.6 kB
pwscf.pdos_atm#3(Ta)_wfc#1(s)
7.9 kB
pwscf.pdos_atm#3(Ta)_wfc#2(p)
13.6 kB
pwscf.pdos_atm#3(Ta)_wfc#3(d)
19.2 kB
pwscf.pdos_atm#3(Ta)_wfc#4(s)
7.9 kB
pwscf.pdos_atm#3(Ta)_wfc#5(p)
13.6 kB
pwscf.pdos_atm#4(Ta)_wfc#1(s)
7.9 kB
pwscf.pdos_atm#4(Ta)_wfc#2(p)
13.6 kB
pwscf.pdos_atm#4(Ta)_wfc#3(d)
19.2 kB
pwscf.pdos_atm#4(Ta)_wfc#4(s)
7.9 kB
pwscf.pdos_atm#4(Ta)_wfc#5(p)
13.6 kB
pwscf.pdos_atm#5(O)_wfc#1(s)
7.9 kB
pwscf.pdos_atm#5(O)_wfc#2(p)
13.6 kB
pwscf.pdos_atm#6(O)_wfc#1(s)
7.9 kB
pwscf.pdos_atm#6(O)_wfc#2(p)
13.6 kB
pwscf.pdos_atm#7(O)_wfc#1(s)
7.9 kB
pwscf.pdos_atm#7(O)_wfc#2(p)
13.6 kB
pwscf.pdos_atm#8(O)_wfc#1(s)
7.9 kB
pwscf.pdos_atm#8(O)_wfc#2(p)
13.6 kB
pwscf.pdos_atm#9(O)_wfc#1(s)
7.9 kB
pwscf.pdos_atm#9(O)_wfc#2(p)
13.6 kB
pwscf.pdos_tot
7.9 kB
scf
4_scf.pbs
358 Bytes
dftu.in
1.6 kB
dftu.in~
1.6 kB
dftu.out
110.4 kB
Ti1S2_mp-2156
PDOS
dos
18_dos.pbs
359 Bytes
18_dos.pbs~
358 Bytes
TiS2.dos
13.3 kB
dftu.in
87 Bytes
dftu.in~
0 Bytes
dftu.out
1.8 kB
nscf
18_nscf.pbs
358 Bytes
dftu.in
1.2 kB
dftu.in~
1.2 kB
dftu.out
42.1 kB
pdos
18_pdos.pbs
363 Bytes
18_pdos.pbs~
359 Bytes
dftu.in
142 Bytes
dftu.in~
87 Bytes
dftu.out
167.8 kB
pwscf.pdos_atm#1(Ti)_wfc#1(s)
7.7 kB
pwscf.pdos_atm#1(Ti)_wfc#2(p)
13.1 kB
pwscf.pdos_atm#1(Ti)_wfc#3(s)
7.7 kB
pwscf.pdos_atm#1(Ti)_wfc#4(d)
18.5 kB
pwscf.pdos_atm#2(S)_wfc#1(s)
7.7 kB
pwscf.pdos_atm#2(S)_wfc#2(p)
13.1 kB
pwscf.pdos_atm#3(S)_wfc#1(s)
7.7 kB
pwscf.pdos_atm#3(S)_wfc#2(p)
13.1 kB
pwscf.pdos_tot
7.7 kB
scf
18_scf.pbs
358 Bytes
dftu.in
1.2 kB
dftu.in~
1.6 kB
dftu.out
42.2 kB
Ti2O4_mp-2657
PDOS
dos
0_dos.pbs
353 Bytes
TiO2.dos
13.3 kB
dftu.in
88 Bytes
dftu.out
1.8 kB
nscf
0_nscf.pbs
352 Bytes
dftu.in
1.4 kB
dftu.in~
1.3 kB
dftu.out
61.9 kB
pdos
0_pdos.pbs
357 Bytes
dftu.in
144 Bytes
dftu.in~
116 Bytes
dftu.out
524.1 kB
pwscf.pdos_atm#1(Ti)_wfc#1(s)
7.3 kB
pwscf.pdos_atm#1(Ti)_wfc#2(p)
12.5 kB
pwscf.pdos_atm#1(Ti)_wfc#3(s)
7.3 kB
pwscf.pdos_atm#1(Ti)_wfc#4(d)
17.7 kB
pwscf.pdos_atm#2(Ti)_wfc#1(s)
7.3 kB
pwscf.pdos_atm#2(Ti)_wfc#2(p)
12.5 kB
pwscf.pdos_atm#2(Ti)_wfc#3(s)
7.3 kB
pwscf.pdos_atm#2(Ti)_wfc#4(d)
17.7 kB
pwscf.pdos_atm#3(O)_wfc#1(s)
7.3 kB
pwscf.pdos_atm#3(O)_wfc#2(p)
12.5 kB
pwscf.pdos_atm#4(O)_wfc#1(s)
7.3 kB
pwscf.pdos_atm#4(O)_wfc#2(p)
12.5 kB
pwscf.pdos_atm#5(O)_wfc#1(s)
7.3 kB
pwscf.pdos_atm#5(O)_wfc#2(p)
12.5 kB
pwscf.pdos_atm#6(O)_wfc#1(s)
7.3 kB
pwscf.pdos_atm#6(O)_wfc#2(p)
12.5 kB
pwscf.pdos_tot
7.3 kB
scf
0_scf.pbs
352 Bytes
dftu.in
1.4 kB
dftu.in~
1.3 kB
dftu.out
62.4 kB
vc_relax
0_vc.pbs
352 Bytes
0_vc.pbs~
367 Bytes
dftu.in
1.4 kB
dftu.out
305.9 kB
V4O10_mp-25279
PDOS
dos
3_dos.pbs
359 Bytes
3_dos.pbs~
358 Bytes
V2O5.dos
13.3 kB
dftu.in
86 Bytes
dftu.in~
0 Bytes
dftu.out
1.7 kB
nscf
3_nscf.pbs
358 Bytes
dftu.in
1.6 kB
dftu.out
79.3 kB
pdos
3_pdos.pbs
363 Bytes
dftu.in
141 Bytes
dftu.out
1.6 MB
pwscf.pdos_atm#1(V)_wfc#1(s)
7.7 kB
pwscf.pdos_atm#1(V)_wfc#2(p)
13.1 kB
pwscf.pdos_atm#1(V)_wfc#3(s)
7.7 kB
pwscf.pdos_atm#1(V)_wfc#4(d)
18.6 kB
pwscf.pdos_atm#10(O)_wfc#1(s)
7.7 kB
pwscf.pdos_atm#10(O)_wfc#2(p)
13.1 kB
pwscf.pdos_atm#11(O)_wfc#1(s)
7.7 kB
pwscf.pdos_atm#11(O)_wfc#2(p)
13.1 kB
pwscf.pdos_atm#12(O)_wfc#1(s)
7.7 kB
pwscf.pdos_atm#12(O)_wfc#2(p)
13.1 kB
pwscf.pdos_atm#13(O)_wfc#1(s)
7.7 kB
pwscf.pdos_atm#13(O)_wfc#2(p)
13.1 kB
pwscf.pdos_atm#14(O)_wfc#1(s)
7.7 kB
pwscf.pdos_atm#14(O)_wfc#2(p)
13.1 kB
pwscf.pdos_atm#2(V)_wfc#1(s)
7.7 kB
pwscf.pdos_atm#2(V)_wfc#2(p)
13.1 kB
pwscf.pdos_atm#2(V)_wfc#3(s)
7.7 kB
pwscf.pdos_atm#2(V)_wfc#4(d)
18.6 kB
pwscf.pdos_atm#3(V)_wfc#1(s)
7.7 kB
pwscf.pdos_atm#3(V)_wfc#2(p)
13.1 kB
pwscf.pdos_atm#3(V)_wfc#3(s)
7.7 kB
pwscf.pdos_atm#3(V)_wfc#4(d)
18.6 kB
pwscf.pdos_atm#4(V)_wfc#1(s)
7.7 kB
pwscf.pdos_atm#4(V)_wfc#2(p)
13.1 kB
pwscf.pdos_atm#4(V)_wfc#3(s)
7.7 kB
pwscf.pdos_atm#4(V)_wfc#4(d)
18.6 kB
pwscf.pdos_atm#5(O)_wfc#1(s)
7.7 kB
pwscf.pdos_atm#5(O)_wfc#2(p)
13.1 kB
pwscf.pdos_atm#6(O)_wfc#1(s)
7.7 kB
pwscf.pdos_atm#6(O)_wfc#2(p)
13.1 kB
pwscf.pdos_atm#7(O)_wfc#1(s)
7.7 kB
pwscf.pdos_atm#7(O)_wfc#2(p)
13.1 kB
pwscf.pdos_atm#8(O)_wfc#1(s)
7.7 kB
pwscf.pdos_atm#8(O)_wfc#2(p)
13.1 kB
pwscf.pdos_atm#9(O)_wfc#1(s)
7.7 kB
pwscf.pdos_atm#9(O)_wfc#2(p)
13.1 kB
pwscf.pdos_tot
7.7 kB
scf
3_scf.pbs
358 Bytes
dftu.in
1.6 kB
dftu.in~
1.5 kB
dftu.out
80.8 kB
W1O3_mp-19390
PDOS
dos
5_dos.pbs
359 Bytes
5_dos.pbs~
358 Bytes
WO3.dos
13.3 kB
dftu.in
87 Bytes
dftu.in~
0 Bytes
dftu.out
1.8 kB
nscf
5_nscf.pbs
358 Bytes
dftu.in
1.2 kB
dftu.in~
1.2 kB
dftu.out
43.6 kB
pdos
5_pdos.pbs
363 Bytes
5_pdos.pbs~
359 Bytes
dftu.in
141 Bytes
dftu.in~
87 Bytes
dftu.out
116.1 kB
pwscf.pdos_atm#1(W)_wfc#1(s)
9.5 kB
pwscf.pdos_atm#1(W)_wfc#2(p)
16.2 kB
pwscf.pdos_atm#1(W)_wfc#3(d)
23.0 kB
pwscf.pdos_atm#1(W)_wfc#4(s)
9.5 kB
pwscf.pdos_atm#1(W)_wfc#5(p)
16.2 kB
pwscf.pdos_atm#2(O)_wfc#1(s)
9.5 kB
pwscf.pdos_atm#2(O)_wfc#2(p)
16.2 kB
pwscf.pdos_atm#3(O)_wfc#1(s)
9.5 kB
pwscf.pdos_atm#3(O)_wfc#2(p)
16.2 kB
pwscf.pdos_atm#4(O)_wfc#1(s)
9.5 kB
pwscf.pdos_atm#4(O)_wfc#2(p)
16.2 kB
pwscf.pdos_tot
9.5 kB
scf
5_scf.pbs
358 Bytes
dftu.in
1.2 kB
dftu.in~
1.6 kB
dftu.out
46.9 kB
Y2S1O2_mp12894
PDOS
nscf
32_nscf.pbs
352 Bytes
dftu.in
1.3 kB
dftu.in~
1.3 kB
dftu.out
43.3 kB
pdos
32_pdos.pbs
357 Bytes
dftu.in
144 Bytes
dftu.out
376.5 kB
pwscf.pdos_atm#1(Y)_wfc#1(s)
8.1 kB
pwscf.pdos_atm#1(Y)_wfc#2(p)
13.9 kB
pwscf.pdos_atm#1(Y)_wfc#3(d)
19.7 kB
pwscf.pdos_atm#1(Y)_wfc#4(s)
8.1 kB
pwscf.pdos_atm#1(Y)_wfc#5(p)
13.9 kB
pwscf.pdos_atm#2(Y)_wfc#1(s)
8.1 kB
pwscf.pdos_atm#2(Y)_wfc#2(p)
13.9 kB
pwscf.pdos_atm#2(Y)_wfc#3(d)
19.7 kB
pwscf.pdos_atm#2(Y)_wfc#4(s)
8.1 kB
pwscf.pdos_atm#2(Y)_wfc#5(p)
13.9 kB
pwscf.pdos_atm#3(S)_wfc#1(s)
8.1 kB
pwscf.pdos_atm#3(S)_wfc#2(p)
13.9 kB
pwscf.pdos_atm#4(O)_wfc#1(s)
8.1 kB
pwscf.pdos_atm#4(O)_wfc#2(p)
13.9 kB
pwscf.pdos_atm#5(O)_wfc#1(s)
8.1 kB
pwscf.pdos_atm#5(O)_wfc#2(p)
13.9 kB
pwscf.pdos_tot
8.1 kB
scf
32_scf.pbs
352 Bytes
dftu.in
1.3 kB
dftu.in~
1.3 kB
dftu.out
44.4 kB
Zr1S2_mp-1186
PDOS
dos
19_dos.pbs
359 Bytes
19_dos.pbs~
358 Bytes
ZrS2.dos
13.3 kB
dftu.in
87 Bytes
dftu.in~
0 Bytes
dftu.out
1.8 kB
nscf
19_nscf.pbs
358 Bytes
dftu.in
1.2 kB
dftu.in~
1.2 kB
dftu.out
36.9 kB
pdos
19_pdos.pbs
363 Bytes
19_pdos.pbs~
359 Bytes
dftu.in
143 Bytes
dftu.in~
87 Bytes
dftu.out
156.1 kB
pwscf.pdos_atm#1(Zr)_wfc#1(s)
8.0 kB
pwscf.pdos_atm#1(Zr)_wfc#2(p)
13.7 kB
pwscf.pdos_atm#1(Zr)_wfc#3(d)
19.4 kB
pwscf.pdos_atm#1(Zr)_wfc#4(s)
8.0 kB
pwscf.pdos_atm#1(Zr)_wfc#5(p)
13.7 kB
pwscf.pdos_atm#2(S)_wfc#1(s)
8.0 kB
pwscf.pdos_atm#2(S)_wfc#2(p)
13.7 kB
pwscf.pdos_atm#3(S)_wfc#1(s)
8.0 kB
pwscf.pdos_atm#3(S)_wfc#2(p)
13.7 kB
pwscf.pdos_tot
8.0 kB
scf
19_scf.pbs
358 Bytes
dftu.in
1.2 kB
dftu.in~
1.6 kB
dftu.out
37.9 kB
Zr4O8_mp-2858
PDOS
dos
1_dos.pbs
359 Bytes
1_dos.pbs~
358 Bytes
ZrO2.dos
13.3 kB
dftu.in
85 Bytes
dftu.out
1.8 kB
nscf
1_nscf.pbs
358 Bytes
dftu.in
1.5 kB
dftu.in~
1.5 kB
dftu.out
68.8 kB
pdos
1_pdos.pbs
363 Bytes
1_pdos.pbs~
359 Bytes
dftu.in
141 Bytes
dftu.in~
85 Bytes
dftu.out
1.9 MB
pwscf.pdos_atm#1(Zr)_wfc#1(s)
7.6 kB
pwscf.pdos_atm#1(Zr)_wfc#2(p)
13.0 kB
pwscf.pdos_atm#1(Zr)_wfc#3(d)
18.5 kB
pwscf.pdos_atm#1(Zr)_wfc#4(s)
7.6 kB
pwscf.pdos_atm#1(Zr)_wfc#5(p)
13.0 kB
pwscf.pdos_atm#10(O)_wfc#1(s)
7.6 kB
pwscf.pdos_atm#10(O)_wfc#2(p)
13.0 kB
pwscf.pdos_atm#11(O)_wfc#1(s)
7.6 kB
pwscf.pdos_atm#11(O)_wfc#2(p)
13.0 kB
pwscf.pdos_atm#12(O)_wfc#1(s)
7.6 kB
pwscf.pdos_atm#12(O)_wfc#2(p)
13.0 kB
pwscf.pdos_atm#2(Zr)_wfc#1(s)
7.6 kB
pwscf.pdos_atm#2(Zr)_wfc#2(p)
13.0 kB
pwscf.pdos_atm#2(Zr)_wfc#3(d)
18.5 kB
pwscf.pdos_atm#2(Zr)_wfc#4(s)
7.6 kB
pwscf.pdos_atm#2(Zr)_wfc#5(p)
13.0 kB
pwscf.pdos_atm#3(Zr)_wfc#1(s)
7.6 kB
pwscf.pdos_atm#3(Zr)_wfc#2(p)
13.0 kB
pwscf.pdos_atm#3(Zr)_wfc#3(d)
18.5 kB
pwscf.pdos_atm#3(Zr)_wfc#4(s)
7.6 kB
pwscf.pdos_atm#3(Zr)_wfc#5(p)
13.0 kB
pwscf.pdos_atm#4(Zr)_wfc#1(s)
7.6 kB
pwscf.pdos_atm#4(Zr)_wfc#2(p)
13.0 kB
pwscf.pdos_atm#4(Zr)_wfc#3(d)
18.5 kB
pwscf.pdos_atm#4(Zr)_wfc#4(s)
7.6 kB
pwscf.pdos_atm#4(Zr)_wfc#5(p)
13.0 kB
pwscf.pdos_atm#5(O)_wfc#1(s)
7.6 kB
pwscf.pdos_atm#5(O)_wfc#2(p)
13.0 kB
pwscf.pdos_atm#6(O)_wfc#1(s)
7.6 kB
pwscf.pdos_atm#6(O)_wfc#2(p)
13.0 kB
pwscf.pdos_atm#7(O)_wfc#1(s)
7.6 kB
pwscf.pdos_atm#7(O)_wfc#2(p)
13.0 kB
pwscf.pdos_atm#8(O)_wfc#1(s)
7.6 kB
pwscf.pdos_atm#8(O)_wfc#2(p)
13.0 kB
pwscf.pdos_atm#9(O)_wfc#1(s)
7.6 kB
pwscf.pdos_atm#9(O)_wfc#2(p)
13.0 kB
pwscf.pdos_tot
7.6 kB
scf
1_scf.pbs
358 Bytes
1_scf.pbs~
352 Bytes
dftu.in
1.5 kB
dftu.in~
1.4 kB
dftu.out
69.9 kB