binci_2023_mc_archive.zip
The previewer is not showing all the files.
materials-cloud
euX
enthalpy
enthalpy.py
1.4 kB
lda
oxygen
enthalpyCsCl_plusU.txt
623 Bytes
enthalpyCsCl_relaxDFT.txt
624 Bytes
enthalpyNaCl_plusU.txt
620 Bytes
enthalpyNaCl_relaxDFT.txt
616 Bytes
plusU
CsCl
scf0.in
927 Bytes
scf0.out
714.7 kB
scf1.in
928 Bytes
scf1.out
723.3 kB
scf10.in
932 Bytes
scf10.out
722.2 kB
scf11.in
932 Bytes
scf11.out
787.2 kB
scf12.in
932 Bytes
scf12.out
721.9 kB
scf13.in
932 Bytes
scf13.out
721.9 kB
scf14.in
932 Bytes
scf14.out
722.0 kB
scf15.in
932 Bytes
scf15.out
726.3 kB
scf2.in
928 Bytes
scf2.out
736.2 kB
scf3.in
931 Bytes
scf3.out
718.7 kB
scf4.in
928 Bytes
scf4.out
727.4 kB
scf5.in
928 Bytes
scf5.out
722.9 kB
scf6.in
931 Bytes
scf6.out
718.8 kB
scf7.in
931 Bytes
scf7.out
731.4 kB
scf8.in
932 Bytes
scf8.out
726.9 kB
scf9.in
928 Bytes
scf9.out
726.9 kB
NaCl
scf0.in
932 Bytes
scf0.out
650.3 kB
scf1.in
931 Bytes
scf1.out
650.7 kB
scf10.in
928 Bytes
scf10.out
645.4 kB
scf11.in
932 Bytes
scf11.out
675.8 kB
scf12.in
932 Bytes
scf12.out
675.8 kB
scf13.in
932 Bytes
scf13.out
697.4 kB
scf14.in
932 Bytes
scf14.out
662.6 kB
scf15.in
932 Bytes
scf15.out
653.6 kB
scf2.in
931 Bytes
scf2.out
650.3 kB
scf3.in
931 Bytes
scf3.out
645.5 kB
scf4.in
931 Bytes
scf4.out
658.6 kB
scf5.in
931 Bytes
scf5.out
680.2 kB
scf6.in
931 Bytes
scf6.out
662.6 kB
scf7.in
931 Bytes
scf7.out
684.4 kB
scf8.in
928 Bytes
scf8.out
640.7 kB
scf9.in
931 Bytes
scf9.out
675.8 kB
hp-CsCl
EuO.Hubbard_parameters.dat
249.4 kB
hp.in
170 Bytes
hp.out
9.4 MB
job
503 Bytes
scf.in
921 Bytes
scf.out
431.2 kB
relaxDFT
CsCl
scf0.in
821 Bytes
scf0.out
613.8 kB
scf1.in
822 Bytes
scf1.out
610.6 kB
scf10.in
826 Bytes
scf10.out
614.6 kB
scf11.in
826 Bytes
scf11.out
614.1 kB
scf12.in
826 Bytes
scf12.out
614.8 kB
scf13.in
826 Bytes
scf13.out
618.6 kB
scf14.in
826 Bytes
scf14.out
616.7 kB
scf15.in
826 Bytes
scf15.out
618.9 kB
scf2.in
822 Bytes
scf2.out
611.0 kB
scf3.in
825 Bytes
scf3.out
609.5 kB
scf4.in
822 Bytes
scf4.out
611.0 kB
scf5.in
822 Bytes
scf5.out
618.3 kB
scf6.in
825 Bytes
scf6.out
615.3 kB
scf7.in
825 Bytes
scf7.out
617.6 kB
scf8.in
826 Bytes
scf8.out
619.7 kB
scf9.in
822 Bytes
scf9.out
616.7 kB
NaCl
scf0.in
826 Bytes
scf0.out
540.6 kB
scf1.in
825 Bytes
scf1.out
542.2 kB
scf10.out
537.1 kB
scf11.out
540.2 kB
scf12.in
826 Bytes
scf12.out
540.4 kB
scf13.in
826 Bytes
scf13.out
540.1 kB
scf14.out
539.7 kB
scf15.out
538.9 kB
scf2.out
548.6 kB
scf3.in
825 Bytes
scf3.out
542.1 kB
scf4.in
825 Bytes
scf4.out
541.5 kB
scf5.in
825 Bytes
scf5.out
545.5 kB
scf6.out
543.6 kB
scf7.in
825 Bytes
scf7.out
542.2 kB
selenium
enthalpyCsCl_plusU.txt
611 Bytes
enthalpyCsCl_relaxDFT.txt
603 Bytes
enthalpyNaCl_plusU.txt
605 Bytes
enthalpyNaCl_relaxDFT.txt
605 Bytes
plusU
CsCl
scf0.in
928 Bytes
scf0.out
695.8 kB
scf1.in
933 Bytes
scf1.out
713.3 kB
scf10.in
934 Bytes
scf10.out
704.0 kB
scf11.in
934 Bytes
scf11.out
725.9 kB
scf12.in
934 Bytes
scf12.out
704.1 kB
scf13.in
934 Bytes
scf13.out
725.7 kB
scf14.in
934 Bytes
scf14.out
712.7 kB
scf15.in
934 Bytes
scf15.out
734.4 kB
scf2.in
933 Bytes
scf2.out
713.1 kB
scf3.in
934 Bytes
scf3.out
725.9 kB
scf4.in
934 Bytes
scf4.out
708.5 kB
scf5.in
928 Bytes
scf5.out
751.9 kB
scf6.in
929 Bytes
scf6.out
747.5 kB
scf7.in
933 Bytes
scf7.out
738.8 kB
scf8.in
933 Bytes
scf8.out
725.8 kB
scf9.in
933 Bytes
scf9.out
712.7 kB
NaCl
scf0.in
927 Bytes
scf0.out
657.9 kB
scf1.in
928 Bytes
scf1.out
657.8 kB
scf10.in
929 Bytes
scf10.out
653.4 kB
scf11.in
935 Bytes
scf11.out
644.7 kB
scf12.in
935 Bytes
scf12.out
636.1 kB
scf13.in
935 Bytes
scf13.out
675.2 kB
scf14.in
935 Bytes
scf14.out
636.0 kB
scf15.in
935 Bytes
scf15.out
640.4 kB
scf2.in
928 Bytes
scf2.out
688.1 kB
scf3.in
933 Bytes
scf3.out
705.6 kB
scf4.in
928 Bytes
scf4.out
657.7 kB
scf5.in
933 Bytes
scf5.out
644.8 kB
scf6.in
933 Bytes
scf6.out
675.3 kB
scf7.in
929 Bytes
scf7.out
640.6 kB
scf8.in
934 Bytes
scf8.out
649.1 kB
scf9.in
934 Bytes
scf9.out
644.8 kB
hp-CsCl
EuSe.Hubbard_parameters.dat
249.4 kB
hp.in
171 Bytes
hp.out
9.4 MB
job
505 Bytes
scf.in
922 Bytes
scf.out
461.2 kB
relaxDFT
CsCl
scf0.in
822 Bytes
scf0.out
607.3 kB
scf1.in
827 Bytes
scf1.out
607.3 kB
scf10.in
828 Bytes
scf10.out
612.7 kB
scf11.in
828 Bytes
scf11.out
615.0 kB
scf12.in
828 Bytes
scf12.out
613.0 kB
scf13.in
828 Bytes
scf13.out
614.5 kB
scf14.in
828 Bytes
scf14.out
614.7 kB
scf15.in
828 Bytes
scf15.out
616.6 kB
scf2.in
827 Bytes
scf2.out
608.0 kB
scf3.in
828 Bytes
scf3.out
607.3 kB
scf4.in
828 Bytes
scf4.out
607.6 kB
scf5.in
822 Bytes
scf5.out
607.5 kB
scf6.in
823 Bytes
scf6.out
609.3 kB
scf7.in
827 Bytes
scf7.out
610.5 kB
scf8.in
827 Bytes
scf8.out
611.7 kB
scf9.in
827 Bytes
scf9.out
611.9 kB
NaCl
scf0.in
821 Bytes
scf0.out
534.6 kB
scf1.in
822 Bytes
scf1.out
534.6 kB
scf10.in
823 Bytes
scf10.out
537.7 kB
scf11.in
829 Bytes
scf11.out
538.4 kB
scf12.in
829 Bytes
scf12.out
539.2 kB
scf13.in
829 Bytes
scf13.out
543.4 kB
scf14.in
829 Bytes
scf14.out
541.7 kB
scf15.in
829 Bytes
scf15.out
540.6 kB
scf2.in
822 Bytes
scf2.out
535.8 kB
scf3.in
827 Bytes
scf3.out
535.7 kB
scf4.in
822 Bytes
scf4.out
534.2 kB
scf5.in
827 Bytes
scf5.out
535.0 kB
scf6.in
827 Bytes
scf6.out
534.4 kB
scf7.in
823 Bytes
scf7.out
537.1 kB
scf8.in
828 Bytes
scf8.out
538.4 kB
scf9.in
828 Bytes
scf9.out
538.6 kB
hp-lattPar-bulkMod
lda
oxygen
EuO.Hubbard_parameters.dat
249.4 kB
hp.in
201 Bytes
hp.out
7.9 MB
hp1.in
201 Bytes
hp1.out
2.8 MB
hpQ.in
255 Bytes
hpQ.out
10.5 kB
hpSum.in
194 Bytes
hpSum.out
4.1 kB
plusU
bulk
out.txt
381 Bytes
results.txt
1.7 kB
scf0.in
912 Bytes
scf0.out
651.7 kB
scf1.in
906 Bytes
scf1.out
669.2 kB
scf10.in
914 Bytes
scf10.out
715.7 kB
scf11.in
914 Bytes
scf11.out
654.9 kB
scf12.in
908 Bytes
scf12.out
720.0 kB
scf13.in
908 Bytes
scf13.out
724.4 kB
scf14.in
914 Bytes
scf14.out
685.6 kB
scf2.in
906 Bytes
scf2.out
673.1 kB
scf3.in
906 Bytes
scf3.out
655.5 kB
scf4.in
906 Bytes
scf4.out
690.3 kB
scf5.in
905 Bytes
scf5.out
668.5 kB
scf6.in
912 Bytes
scf6.out
676.6 kB
scf7.in
912 Bytes
scf7.out
694.0 kB
scf8.in
906 Bytes
scf8.out
728.7 kB
scf9.in
913 Bytes
scf9.out
680.9 kB
vc-relax.in
1.1 kB
vc-relax.out
2.5 MB
relaxDFT
bulk
out.txt
381 Bytes
results.txt
1.7 kB
scf0.in
806 Bytes
scf0.out
536.3 kB
scf1.in
800 Bytes
scf1.out
542.5 kB
scf10.in
808 Bytes
scf10.out
542.9 kB
scf11.in
808 Bytes
scf11.out
550.0 kB
scf12.in
802 Bytes
scf12.out
537.9 kB
scf13.in
802 Bytes
scf13.out
544.7 kB
scf14.in
808 Bytes
scf14.out
543.8 kB
scf2.in
800 Bytes
scf2.out
539.2 kB
scf3.in
800 Bytes
scf3.out
538.9 kB
scf4.in
800 Bytes
scf4.out
541.4 kB
scf5.in
799 Bytes
scf5.out
0 Bytes
scf6.in
806 Bytes
scf6.out
537.3 kB
scf7.in
806 Bytes
scf7.out
540.8 kB
scf8.in
800 Bytes
scf8.out
540.4 kB
scf9.in
807 Bytes
scf9.out
540.0 kB
vc-relax.in
954 Bytes
vc-relax.out
3.3 MB
scf.in
922 Bytes
scf.out
505.4 kB
selenium
EuSe.Hubbard_parameters.dat
249.4 kB
hp.in
171 Bytes
hp.out
8.9 MB
plusU
bulk
out.txt
387 Bytes
results.txt
1.7 kB
scf0.in
908 Bytes
scf0.out
650.6 kB
scf1.in
914 Bytes
scf1.out
650.6 kB
scf10.in
916 Bytes
scf10.out
659.2 kB
scf11.in
916 Bytes
scf11.out
650.5 kB
scf12.in
916 Bytes
scf12.out
672.3 kB
scf13.in
911 Bytes
scf13.out
659.3 kB
scf14.in
911 Bytes
scf14.out
646.2 kB
scf2.in
909 Bytes
scf2.out
663.6 kB
scf3.in
910 Bytes
scf3.out
676.7 kB
scf4.in
915 Bytes
scf4.out
685.3 kB
scf5.in
915 Bytes
scf5.out
633.2 kB
scf6.in
915 Bytes
scf6.out
654.9 kB
scf7.in
910 Bytes
scf7.out
654.9 kB
scf8.in
910 Bytes
scf8.out
698.3 kB
scf9.in
915 Bytes
scf9.out
641.9 kB
coll
vc-relax.in
1.0 kB
vc-relax.out
1.4 MB
vc-relax.in
1.0 kB
vc-relax.out
1.2 MB
relaxDFT
bulk
out.txt
387 Bytes
results.txt
1.7 kB
scf0.in
802 Bytes
scf0.out
532.2 kB
scf1.in
808 Bytes
scf1.out
533.3 kB
scf10.in
810 Bytes
scf10.out
542.9 kB
scf11.in
810 Bytes
scf11.out
541.0 kB
scf12.in
810 Bytes
scf12.out
538.8 kB
scf13.in
805 Bytes
scf13.out
538.8 kB
scf14.in
805 Bytes
scf14.out
535.9 kB
scf2.in
803 Bytes
scf2.out
533.1 kB
scf3.in
804 Bytes
scf3.out
534.5 kB
scf4.in
809 Bytes
scf4.out
536.7 kB
scf5.in
809 Bytes
scf5.out
542.9 kB
scf6.in
809 Bytes
scf6.out
537.5 kB
scf7.in
804 Bytes
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539.5 kB
scf8.in
804 Bytes
scf8.out
542.4 kB
scf9.in
809 Bytes
scf9.out
546.7 kB
vc-relax.in
955 Bytes
vc-relax.out
3.4 MB
scf.in
910 Bytes
scf.out
447.8 kB
sulfur
EuS.Hubbard_parameters.dat
249.4 kB
hp.in
170 Bytes
hp.out
8.9 MB
plusU
bulk
out.txt
386 Bytes
results.txt
1.7 kB
scf0.in
905 Bytes
scf0.out
633.3 kB
scf1.in
911 Bytes
scf1.out
646.5 kB
scf10.in
907 Bytes
scf10.out
672.3 kB
scf11.in
913 Bytes
scf11.out
720.0 kB
scf12.in
913 Bytes
scf12.out
676.6 kB
scf13.in
913 Bytes
scf13.out
694.0 kB
scf14.in
908 Bytes
scf14.out
668.5 kB
scf2.in
906 Bytes
scf2.out
633.4 kB
scf3.in
906 Bytes
scf3.out
668.1 kB
scf4.in
912 Bytes
scf4.out
672.5 kB
scf5.in
912 Bytes
scf5.out
646.3 kB
scf6.in
907 Bytes
scf6.out
707.1 kB
scf7.in
907 Bytes
scf7.out
668.0 kB
scf8.in
907 Bytes
scf8.out
654.9 kB
scf9.in
907 Bytes
scf9.out
650.5 kB
vc-relax.in
1.1 kB
vc-relax.out
2.4 MB
relaxDFT
bulk
out.txt
386 Bytes
results.txt
1.7 kB
scf0.in
800 Bytes
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532.1 kB
scf1.in
806 Bytes
scf1.out
533.1 kB
scf10.in
802 Bytes
scf10.out
543.1 kB
scf11.in
808 Bytes
scf11.out
544.2 kB
scf12.in
808 Bytes
scf12.out
537.3 kB
scf13.in
808 Bytes
scf13.out
542.6 kB
scf14.in
803 Bytes
scf14.out
536.6 kB
scf2.in
801 Bytes
scf2.out
532.3 kB
scf3.in
801 Bytes
scf3.out
532.9 kB
scf4.in
807 Bytes
scf4.out
534.9 kB
scf5.in
807 Bytes
scf5.out
536.1 kB
scf6.in
802 Bytes
scf6.out
543.6 kB
scf7.in
802 Bytes
scf7.out
543.1 kB
scf8.in
802 Bytes
scf8.out
540.2 kB
scf9.in
802 Bytes
scf9.out
544.6 kB
vc-relax.in
954 Bytes
vc-relax.out
3.4 MB
scf.in
909 Bytes
scf.out
430.5 kB
tellurium
EuTe.Hubbard_parameters.dat
249.4 kB
hp.in
171 Bytes
hp.out
8.9 MB
plusU
bulk
out.txt
389 Bytes
results.txt
1.7 kB
scf0.in
908 Bytes
scf0.out
664.4 kB
scf1.in
915 Bytes
scf1.out
673.2 kB
scf10.in
910 Bytes
scf10.out
659.4 kB
scf11.in
916 Bytes
scf11.out
681.1 kB
scf12.in
916 Bytes
scf12.out
637.9 kB
scf13.in
916 Bytes
scf13.out
681.6 kB
scf14.in
916 Bytes
scf14.out
646.5 kB
scf2.in
910 Bytes
scf2.out
655.5 kB
scf3.in
915 Bytes
scf3.out
642.5 kB
scf4.in
915 Bytes
scf4.out
659.5 kB
scf5.in
915 Bytes
scf5.out
676.8 kB
scf6.in
910 Bytes
scf6.out
685.5 kB
scf7.in
915 Bytes
scf7.out
690.1 kB
scf8.in
910 Bytes
scf8.out
681.6 kB
scf9.in
910 Bytes
scf9.out
689.9 kB
vc-relax.in
1.1 kB
vc-relax.out
3.1 MB
relaxDFT
bulk
out.txt
389 Bytes
results.txt
1.7 kB
scf0.in
802 Bytes
scf0.out
535.7 kB
scf1.in
809 Bytes
scf1.out
535.0 kB
scf10.in
804 Bytes
scf10.out
549.6 kB
scf11.in
810 Bytes
scf11.out
542.0 kB
scf12.in
810 Bytes
scf12.out
542.2 kB
scf13.in
810 Bytes
scf13.out
541.6 kB
scf14.in
810 Bytes
scf14.out
541.3 kB
scf2.in
804 Bytes
scf2.out
535.2 kB
scf3.in
809 Bytes
scf3.out
538.9 kB
scf4.in
809 Bytes
scf4.out
538.0 kB
scf5.in
809 Bytes
scf5.out
536.6 kB
scf6.in
804 Bytes
scf6.out
539.1 kB
scf7.in
809 Bytes
scf7.out
544.7 kB
scf8.in
804 Bytes
scf8.out
542.4 kB
scf9.in
804 Bytes
scf9.out
543.8 kB
vc-relax.in
954 Bytes
vc-relax.out
3.4 MB
scf.in
909 Bytes
scf.out
456.8 kB
pbesol
oxygen
EuO.Hubbard_parameters.dat
249.4 kB
hp1.in
200 Bytes
hp1.out
11.5 MB
hp2.in
201 Bytes
hp2.out
6.1 MB
hpQ.in
227 Bytes
hpQ.out
10.5 kB
hpSum.in
195 Bytes
hpSum.out
4.1 kB
plusU
bands.in
1.4 kB
bands.out
166.0 kB
bulk
out.txt
382 Bytes
results.txt
1.7 kB
scf0.in
918 Bytes
scf0.out
639.0 kB
scf1.in
919 Bytes
scf1.out
655.8 kB
scf10.in
920 Bytes
scf10.out
689.7 kB
scf11.in
921 Bytes
scf11.out
689.7 kB
scf12.in
926 Bytes
scf12.out
733.2 kB
scf13.in
926 Bytes
scf13.out
707.6 kB
scf14.in
921 Bytes
scf14.out
707.1 kB
scf2.in
919 Bytes
scf2.out
642.7 kB
scf3.in
919 Bytes
scf3.out
647.1 kB
scf4.in
924 Bytes
scf4.out
668.5 kB
scf5.in
919 Bytes
scf5.out
663.8 kB
scf6.in
919 Bytes
scf6.out
689.8 kB
scf7.in
924 Bytes
scf7.out
685.4 kB
scf8.in
920 Bytes
scf8.out
698.4 kB
scf9.in
920 Bytes
scf9.out
655.0 kB
proj.in
92 Bytes
proj.out
2.2 MB
scf.in
919 Bytes
scf.out
646.3 kB
vc-relax.in
1.1 kB
vc-relax.out
2.4 MB
relaxDFT
bands.in
1.3 kB
bands.out
162.4 kB
bulk
out.txt
381 Bytes
results.txt
1.7 kB
scf0.in
812 Bytes
scf0.out
539.5 kB
scf1.in
819 Bytes
scf1.out
539.7 kB
scf10.in
814 Bytes
scf10.out
545.0 kB
scf11.in
820 Bytes
scf11.out
550.0 kB
scf12.in
820 Bytes
scf12.out
541.8 kB
scf13.in
820 Bytes
scf13.out
542.3 kB
scf14.in
820 Bytes
scf14.out
547.4 kB
scf2.in
818 Bytes
scf2.out
540.4 kB
scf3.in
813 Bytes
scf3.out
537.9 kB
scf4.in
818 Bytes
scf4.out
541.4 kB
scf5.in
818 Bytes
scf5.out
538.9 kB
scf6.in
818 Bytes
scf6.out
538.8 kB
scf7.in
813 Bytes
scf7.out
548.9 kB
scf8.in
818 Bytes
scf8.out
541.6 kB
scf9.in
814 Bytes
scf9.out
540.5 kB
proj.in
92 Bytes
proj.out
2.2 MB
scf.in
813 Bytes
scf.out
539.3 kB
vc-relax.in
964 Bytes
vc-relax.out
2.8 MB
scf.in
920 Bytes
scf.out
648.4 kB
selenium
EuSe.Hubbard_parameters.dat
249.4 kB
hp1.in
201 Bytes
hp1.out
10.9 MB
hp2.in
202 Bytes
hp2.out
6.1 MB
hpQ.in
228 Bytes
hpQ.out
10.5 kB
hpSum.in
196 Bytes
hpSum.out
4.1 kB
plusU
bands.in
1.4 kB
bands.out
165.8 kB
bulk
out.txt
387 Bytes
results.txt
1.7 kB
scf0.in
919 Bytes
scf0.out
655.4 kB
scf1.in
920 Bytes
scf1.out
694.1 kB
scf10.in
927 Bytes
scf10.out
633.3 kB
scf11.in
922 Bytes
scf11.out
685.4 kB
scf12.in
922 Bytes
scf12.out
646.3 kB
scf13.in
922 Bytes
scf13.out
681.0 kB
scf14.in
922 Bytes
scf14.out
672.4 kB
scf2.in
920 Bytes
scf2.out
655.1 kB
scf3.in
921 Bytes
scf3.out
646.4 kB
scf4.in
926 Bytes
scf4.out
637.7 kB
scf5.in
920 Bytes
scf5.out
650.7 kB
scf6.in
921 Bytes
scf6.out
655.0 kB
scf7.in
921 Bytes
scf7.out
672.4 kB
scf8.in
921 Bytes
scf8.out
637.6 kB
scf9.in
921 Bytes
scf9.out
633.3 kB
proj.in
93 Bytes
proj.out
2.1 MB
scf.in
922 Bytes
scf.out
685.4 kB
vc-relax
1run
vc-relax.in
1.0 kB
vc-relax.out
1.8 MB
vc-relax.in
1.0 kB
vc-relax.out
756.5 kB
relaxDFT
bands.in
1.3 kB
bands.out
161.7 kB
bulk
out.txt
387 Bytes
results.txt
1.7 kB
scf0.in
813 Bytes
scf0.out
531.8 kB
scf1.in
815 Bytes
scf1.out
532.1 kB
scf10.in
822 Bytes
scf10.out
545.9 kB
scf11.in
822 Bytes
scf11.out
544.8 kB
scf12.in
822 Bytes
scf12.out
539.6 kB
scf13.in
822 Bytes
scf13.out
537.4 kB
scf14.in
822 Bytes
scf14.out
543.4 kB
scf2.in
820 Bytes
scf2.out
531.7 kB
scf3.in
821 Bytes
scf3.out
533.6 kB
scf4.in
821 Bytes
scf4.out
535.7 kB
scf5.in
821 Bytes
scf5.out
539.7 kB
scf6.in
821 Bytes
scf6.out
539.1 kB
scf7.in
816 Bytes
scf7.out
538.8 kB
scf8.in
815 Bytes
scf8.out
544.0 kB
scf9.in
816 Bytes
scf9.out
542.3 kB
proj.in
93 Bytes
proj.out
2.1 MB
scf.in
816 Bytes
scf.out
537.8 kB
vc-relax.in
967 Bytes
vc-relax.out
2.9 MB
scf.in
922 Bytes
scf.out
629.5 kB
sulfur
EuS.Hubbard_parameters.dat
249.4 kB
hp1.in
200 Bytes
hp1.out
11.5 MB
hp2.in
201 Bytes
hp2.out
6.1 MB
hpQ.in
227 Bytes
hpQ.out
10.5 kB
hpSum.in
195 Bytes
hpSum.out
4.1 kB
plusU
bands.in
1.4 kB
bands.out
165.8 kB
bulk
out.txt
386 Bytes
results.txt
1.7 kB
scf0.in
924 Bytes
scf0.out
650.9 kB
scf1.in
919 Bytes
scf1.out
633.6 kB
scf10.in
926 Bytes
scf10.out
711.5 kB
scf11.in
921 Bytes
scf11.out
676.7 kB
scf12.in
921 Bytes
scf12.out
642.0 kB
scf13.in
926 Bytes
scf13.out
659.5 kB
scf14.in
921 Bytes
scf14.out
655.5 kB
scf2.in
919 Bytes
scf2.out
646.4 kB
scf3.in
919 Bytes
scf3.out
668.1 kB
scf4.in
920 Bytes
scf4.out
646.4 kB
scf5.in
919 Bytes
scf5.out
659.4 kB
scf6.in
925 Bytes
scf6.out
698.5 kB
scf7.in
925 Bytes
scf7.out
663.7 kB
scf8.in
920 Bytes
scf8.out
668.0 kB
scf9.in
925 Bytes
scf9.out
641.9 kB
proj.in
92 Bytes
proj.out
2.1 MB
scf.in
920 Bytes
scf.out
650.7 kB
vc-relax.in
1.1 kB
vc-relax.out
2.9 MB
relaxDFT
bands.in
1.3 kB
bands.out
161.6 kB
bulk
out.txt
385 Bytes
results.txt
1.7 kB
scf0.in
812 Bytes
scf0.out
533.3 kB
scf1.in
813 Bytes
scf1.out
532.4 kB
scf10.in
814 Bytes
scf10.out
546.4 kB
scf11.in
820 Bytes
scf11.out
539.2 kB
scf12.in
820 Bytes
scf12.out
544.8 kB
scf13.in
815 Bytes
scf13.out
541.3 kB
scf14.in
815 Bytes
scf14.out
536.8 kB
scf2.in
813 Bytes
scf2.out
533.2 kB
scf3.in
813 Bytes
scf3.out
535.3 kB
scf4.in
818 Bytes
scf4.out
534.2 kB
scf5.in
819 Bytes
scf5.out
535.8 kB
scf6.in
814 Bytes
scf6.out
537.5 kB
scf7.in
814 Bytes
scf7.out
539.8 kB
scf8.in
814 Bytes
scf8.out
540.3 kB
scf9.in
814 Bytes
scf9.out
542.4 kB
proj.in
92 Bytes
proj.out
2.1 MB
scf.in
814 Bytes
scf.out
543.6 kB
vc-relax.in
966 Bytes
vc-relax.out
2.9 MB
scf.in
922 Bytes
scf.out
629.5 kB
tellurium
EuTe.Hubbard_parameters.dat
249.4 kB
hp1.in
201 Bytes
hp1.out
4.4 MB
hp2.in
201 Bytes
hp2.out
6.5 MB
hp3.in
202 Bytes
hp3.out
6.1 MB
hpQ.in
228 Bytes
hpQ.out
10.6 kB
hpSum.in
196 Bytes
hpSum.out
4.1 kB
plusU
bands.in
1.4 kB
bands.out
166.2 kB
bulk
out.txt
389 Bytes
results.txt
1.7 kB
scf0.in
926 Bytes
scf0.out
630.0 kB
scf1.in
922 Bytes
scf1.out
647.0 kB
scf10.in
928 Bytes
scf10.out
659.5 kB
scf11.in
928 Bytes
scf11.out
650.9 kB
scf12.in
928 Bytes
scf12.out
651.3 kB
scf13.in
923 Bytes
scf13.out
681.8 kB
scf14.in
922 Bytes
scf14.out
651.0 kB
scf2.in
921 Bytes
scf2.out
642.7 kB
scf3.in
922 Bytes
scf3.out
685.9 kB
scf4.in
921 Bytes
scf4.out
646.8 kB
scf5.in
922 Bytes
scf5.out
729.1 kB
scf6.in
927 Bytes
scf6.out
672.5 kB
scf7.in
922 Bytes
scf7.out
659.6 kB
scf8.in
921 Bytes
scf8.out
703.0 kB
scf9.in
927 Bytes
scf9.out
742.1 kB
proj.in
93 Bytes
proj.out
2.0 MB
scf.in
922 Bytes
scf.out
646.6 kB
vc-relax.in
1.1 kB
vc-relax.out
3.0 MB
relaxDFT
bands.in
1.3 kB
bands.out
162.5 kB
bulk
out.txt
389 Bytes
results.txt
1.7 kB
scf0.in
813 Bytes
scf0.out
536.3 kB
scf1.in
815 Bytes
scf1.out
536.5 kB
scf10.in
822 Bytes
scf10.out
543.7 kB
scf11.in
822 Bytes
scf11.out
543.6 kB
scf12.in
822 Bytes
scf12.out
542.9 kB
scf13.in
822 Bytes
scf13.out
543.7 kB
scf14.in
816 Bytes
scf14.out
543.4 kB
scf2.in
815 Bytes
scf2.out
533.7 kB
scf3.in
815 Bytes
scf3.out
537.8 kB
scf4.in
815 Bytes
scf4.out
536.3 kB
scf5.in
814 Bytes
scf5.out
540.5 kB
scf6.in
815 Bytes
scf6.out
537.9 kB
scf7.in
815 Bytes
scf7.out
542.0 kB
scf8.in
821 Bytes
scf8.out
543.2 kB
scf9.in
821 Bytes
scf9.out
545.4 kB
proj.in
93 Bytes
proj.out
2.0 MB
scf.in
815 Bytes
scf.out
539.1 kB
vc-relax.in
966 Bytes
vc-relax.out
3.3 MB
scf.in
920 Bytes
scf.out
651.6 kB