cloud.zip
cloud
LDA
BTO trigo
nonpolar
rlx.in
1.2 kB
phonons
matdyn.in
716 Bytes
ph.in
218 Bytes
q2r.in
79 Bytes
scf.in
1.1 kB
polar111
rlx.in
1.4 kB
KTO cubic
nonpolar
rlx.in
1.2 kB
phonons
matdyn.in
605 Bytes
ph.in
218 Bytes
q2r.in
79 Bytes
scf.in
1.1 kB
polar111
rlx.in
1.2 kB
STO tetra
nonpolar
rlx.in
1.7 kB
phonons
matdyn.in
893 Bytes
ph.in
218 Bytes
q2r.in
79 Bytes
scf.in
1.6 kB
polar110
rlx.in
1.5 kB
pseudos
Ba.upf
781.3 kB
K.upf
582.3 kB
O.upf
376.7 kB
Sr.upf
616.0 kB
Ta.upf
792.1 kB
Ti.upf
577.4 kB
PBE
BTO trigo
nonpolar
rlx.in
1.2 kB
phonons
matdyn.in
678 Bytes
ph.in
220 Bytes
q2r.in
78 Bytes
scf.in
1.1 kB
polar111
rlx.in
1.3 kB
KTO cubic
nonpolar
rlx.in
1.2 kB
phonons
matdyn.in
501 Bytes
ph.in
220 Bytes
q2r.in
78 Bytes
scf.in
1.1 kB
polar111
rlx.in
1.2 kB
KTO cubic 18O
nonpolar
rlx.in
1.2 kB
phonons
matdyn.in
501 Bytes
ph.in
220 Bytes
q2r.in
78 Bytes
scf.in
1.1 kB
polar111
rlx.in
1.2 kB
KTO cubic vol
nonpolar
rlx.in
1.2 kB
phonons
matdyn.in
501 Bytes
ph.in
220 Bytes
q2r.in
78 Bytes
scf.in
1.1 kB
polar111
rlx.in
1.2 kB
STO tetra
nonpolar
rlx.in
1.5 kB
phonons
matdyn.in
849 Bytes
ph.in
220 Bytes
q2r.in
78 Bytes
scf.in
1.4 kB
polar110
rlx.in
1.5 kB
STO tetra 18O
nonpolar
rlx.in
1.5 kB
phonons
matdyn.in
849 Bytes
ph.in
220 Bytes
q2r.in
78 Bytes
scf.in
1.4 kB
polar110
rlx.in
1.5 kB
STO tetra vol
nonpolar
rlx.in
1.5 kB
phonons
matdyn.in
849 Bytes
ph.in
220 Bytes
q2r.in
78 Bytes
scf.in
1.4 kB
polar110
rlx.in
1.5 kB
pseudos
Ba.upf
781.3 kB
K.upf
582.3 kB
O.upf
376.7 kB
Sr.upf
616.0 kB
Ta.upf
792.1 kB
Ti.upf
577.4 kB
PBEsol
BTO trigo
nonpolar
rlx.in
1.2 kB
phonons
matdyn.in
717 Bytes
ph.in
218 Bytes
q2r.in
79 Bytes
scf.in
1.1 kB
polar111
rlx.in
1.4 kB
KTO cubic
nonpolar
rlx.in
1.2 kB
phonons
matdyn.in
567 Bytes
ph.in
223 Bytes
q2r.in
80 Bytes
scf.in
1.1 kB
polar111
rlx.in
1.2 kB
STO tetra
nonpolar
rlx.in
1.7 kB
phonons
matdyn.in
893 Bytes
ph.in
218 Bytes
q2r.in
79 Bytes
scf.in
1.6 kB
polar110
rlx.in
1.7 kB
pseudos
Ba.upf
781.3 kB
K.upf
582.3 kB
O.upf
376.7 kB
Sr.upf
616.0 kB
Ta.upf
792.1 kB
Ti.upf
577.4 kB
double well analysis.ipynb
9.5 kB