2-Phonon calculations.zip
2-Phonon calculations
auxiliary
input files-by VASP and PHONOPY
KNiF2
1
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
654.6 kB
2
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
654.6 kB
3
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
654.6 kB
4
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
654.6 kB
5
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
654.6 kB
6
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
654.6 kB
INCAR
2.4 kB
INPHON_dis
55 Bytes
KPOINTS
56 Bytes
POSCAR
754 Bytes
POTCAR
654.6 kB
SPOSCAR
2.2 kB
band.conf
163 Bytes
gen.sh
120 Bytes
vasp6.pbs
608 Bytes
KPdF2
1
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
654.0 kB
2
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
654.0 kB
3
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
654.0 kB
4
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
654.0 kB
5
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
654.0 kB
6
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
654.0 kB
INCAR
2.4 kB
INPHON_dis
55 Bytes
KPOINTS
56 Bytes
POSCAR
754 Bytes
POTCAR
654.0 kB
SPOSCAR
2.2 kB
band.conf
163 Bytes
gen.sh
120 Bytes
vasp6.pbs
608 Bytes
LiNiF2
1
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
576.8 kB
2
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
576.8 kB
3
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
576.8 kB
4
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
576.8 kB
5
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
576.8 kB
6
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
576.8 kB
INCAR
2.4 kB
INPHON_dis
55 Bytes
KPOINTS
56 Bytes
POSCAR
754 Bytes
POTCAR
576.8 kB
SPOSCAR
2.2 kB
band.conf
164 Bytes
gen.sh
120 Bytes
vasp6.pbs
609 Bytes
LiPdF2
1
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
576.2 kB
2
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
576.2 kB
3
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
576.2 kB
4
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
576.2 kB
5
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
576.2 kB
6
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
576.2 kB
INCAR
2.4 kB
INPHON_dis
55 Bytes
KPOINTS
56 Bytes
POSCAR
754 Bytes
POTCAR
576.2 kB
SPOSCAR
2.2 kB
band.conf
164 Bytes
gen.sh
120 Bytes
vasp6.pbs
609 Bytes
NaNiF2
1
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
595.0 kB
2
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
595.0 kB
3
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
595.0 kB
4
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
595.0 kB
5
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
595.0 kB
6
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
595.0 kB
INCAR
2.4 kB
INPHON_dis
55 Bytes
KPOINTS
56 Bytes
POSCAR
754 Bytes
POTCAR
595.0 kB
SPOSCAR
2.2 kB
band.conf
164 Bytes
gen.sh
120 Bytes
vasp6.pbs
608 Bytes
NaPdF2
1
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
594.3 kB
2
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
594.3 kB
3
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
594.3 kB
4
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
594.3 kB
5
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
594.3 kB
6
INCAR
2.4 kB
KPOINTS
56 Bytes
POSCAR
2.2 kB
POTCAR
594.3 kB
INCAR
2.4 kB
INPHON_dis
55 Bytes
KPOINTS
56 Bytes
POSCAR
754 Bytes
POTCAR
594.3 kB
SPOSCAR
2.2 kB
band.conf
164 Bytes
gen.sh
120 Bytes
vasp6.pbs
608 Bytes
data
band-KNiF2.yaml
3.1 MB
band-KPdF2.yaml
3.1 MB
band-LiNiF2.yaml
3.1 MB
band-LiPdF2.yaml
3.1 MB
band-NaNiF2.yaml
3.1 MB
band-NaPdF2.yaml
3.1 MB