1-Convexhull.zip
1-Convexhull
auxiliary
KNiF2
input files
Convexhull-by CALYPSO and VASP
INCAR
320 Bytes
INCAR_1
318 Bytes
INCAR_2
319 Bytes
INCAR_3
320 Bytes
input.dat
2.1 kB
Energy_for_monomers-by VASP
F
INCAR
291 Bytes
KPOINTS
66 Bytes
POSCAR
512 Bytes
POTCAR
202.0 kB
K
INCAR
291 Bytes
KPOINTS
81 Bytes
POSCAR
402 Bytes
POTCAR
221.7 kB
Ni
INCAR
291 Bytes
KPOINTS
85 Bytes
POSCAR
402 Bytes
POTCAR
231.0 kB
KPdF2
input files
Convexhull-by CALYPSO and VASP
INCAR
320 Bytes
INCAR_1
318 Bytes
INCAR_2
319 Bytes
INCAR_3
320 Bytes
input.dat
2.1 kB
Energy_for_monomers-by VASP
Pd
INCAR
291 Bytes
KPOINTS
86 Bytes
POSCAR
223 Bytes
POTCAR
230.3 kB
data
Convexhull_KNiF2.dat
25.9 kB
Convexhull_KPdF2.dat
27.3 kB