# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/cceb09cd-f66f-4bcc-89bc-424b305e74b6/download)
## Creator
[Atsushi Togo](https://orcid.org/0000-0001-8393-9766)
## Rights
Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/)
## Other metadata
[Ab-initio phonon calculation for K2P3 / Fddd (70) / materials id 569857](https://mdr.nims.go.jp/datasets/7d439e10-d98d-429e-9967-26dbe621a321)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 1 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 32K 39.09800000 7.00000000 PAW_PBE K_pv 17Jan2003 48P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 331.552000 EDIFF = 1.000000e-08 EDIFFG = -1.000000e-08 ISMEAR = 0 SIGMA = 1.000000e-02 IALGO = 38 LREAL = .FALSE. ADDGRID = .TRUE. LWAVE = .FALSE. LCHARG = .FALSE. NPAR = 4vasp-settings/POSCAR-unitcell K P 1.0 8.3154775000000001 0.0000000000000000 0.0000000000000000 0.0000000000000000 14.6536502800000008 0.0000000000000000 0.0000000000000000 0.0000000000000000 18.6530348900000007 K P 32 48Direct 0.2500000000000000 0.7500000000000000 0.3748743100000000 0.7500000000000000 0.7500000000000000 0.6251256900000000 0.5000000000000000 0.5000000000000000 0.1353246800000000 0.0000000000000000 0.5000000000000000 0.3646753200000000 0.7500000000000000 0.7500000000000000 0.3853246800000000 0.0000000000000000 0.5000000000000000 0.1248743100000000 0.5000000000000000 0.5000000000000000 0.3751256900000000 0.2500000000000000 0.7500000000000000 0.6146753200000000 0.2500000000000000 0.2500000000000000 0.8748743100000000 0.7500000000000000 0.2500000000000000 0.1251256900000000 0.5000000000000000 0.0000000000000000 0.6353246800000000 0.0000000000000000 0.0000000000000000 0.8646753200000000 0.7500000000000000 0.2500000000000000 0.8853246800000000 0.0000000000000000 0.0000000000000000 0.6248743100000000 0.5000000000000000 0.0000000000000000 0.8751256900000000 0.2500000000000000 0.2500000000000000 0.1146753200000000 0.7500000000000000 0.7500000000000000 0.8748743100000000 0.2500000000000000 0.7500000000000000 0.1251256900000000 0.0000000000000000 0.5000000000000000 0.6353246800000000 0.5000000000000000 0.5000000000000000 0.8646753200000000 0.2500000000000000 0.7500000000000000 0.8853246800000000 0.5000000000000000 0.5000000000000000 0.6248743100000000 0.0000000000000000 0.5000000000000000 0.8751256900000000 0.7500000000000000 0.7500000000000000 0.1146753200000000 0.7500000000000000 0.2500000000000000 0.3748743100000000 0.2500000000000000 0.2500000000000000 0.6251256900000000 0.0000000000000000 0.0000000000000000 0.1353246800000000 0.5000000000000000 0.0000000000000000 0.3646753200000000 0.2500000000000000 0.2500000000000000 0.3853246800000000 0.5000000000000000 0.0000000000000000 0.1248743100000000 0.0000000000000000 0.0000000000000000 0.3751256900000000 0.7500000000000000 0.2500000000000000 0.6146753200000000 0.7746770700000000 0.5737065700000000 0.5018514400000000 0.2500000000000000 0.3971945300000000 0.2500000000000000 0.0000000000000000 0.6471945299999999 0.5000000000000000 0.5246770700000001 0.8237065700000000 0.2481485600000000 0.5000000000000000 0.8528054700000001 0.5000000000000000 0.7746770700000000 0.4262934300000000 0.4981485600000000 0.9753229300000000 0.8237065700000000 0.2518514400000000 0.7500000000000000 0.6028054700000001 0.2500000000000000 0.2253229300000000 0.5737065700000000 0.4981485600000000 0.9753229300000000 0.6762934300000000 0.2481485600000000 0.2253229300000000 0.4262934300000000 0.5018514400000000 0.5246770700000001 0.6762934300000000 0.2518514400000000 0.7746770700000000 0.0737065700000000 0.0018514400000000 0.2500000000000000 0.8971945300000000 0.7500000000000000 0.0000000000000000 0.1471945300000000 0.0000000000000000 0.5246770700000001 0.3237065700000000 0.7481485600000000 0.5000000000000000 0.3528054700000000 0.0000000000000000 0.7746770700000000 0.9262934300000000 0.9981485600000000 0.9753229300000000 0.3237065700000000 0.7518514400000000 0.7500000000000000 0.1028054700000000 0.7500000000000000 0.2253229300000000 0.0737065700000000 0.9981485600000000 0.9753229300000000 0.1762934300000000 0.7481485600000000 0.2253229300000000 0.9262934300000000 0.0018514400000000 0.5246770700000001 0.1762934300000000 0.7518514400000000 0.2746770700000000 0.5737065700000000 0.0018514400000000 0.7500000000000000 0.3971945300000000 0.7500000000000000 0.5000000000000000 0.6471945299999999 0.0000000000000000 0.0246770700000000 0.8237065700000000 0.7481485600000000 0.0000000000000000 0.8528054700000001 0.0000000000000000 0.2746770700000000 0.4262934300000000 0.9981485600000000 0.4753229300000000 0.8237065700000000 0.7518514400000000 0.2500000000000000 0.6028054700000001 0.7500000000000000 0.7253229299999999 0.5737065700000000 0.9981485600000000 0.4753229300000000 0.6762934300000000 0.7481485600000000 0.7253229299999999 0.4262934300000000 0.0018514400000000 0.0246770700000000 0.6762934300000000 0.7518514400000000 0.2746770700000000 0.0737065700000000 0.5018514400000000 0.7500000000000000 0.8971945300000000 0.2500000000000000 0.5000000000000000 0.1471945300000000 0.5000000000000000 0.0246770700000000 0.3237065700000000 0.2481485600000000 0.0000000000000000 0.3528054700000000 0.5000000000000000 0.2746770700000000 0.9262934300000000 0.4981485600000000 0.4753229300000000 0.3237065700000000 0.2518514400000000 0.2500000000000000 0.1028054700000000 0.2500000000000000 0.7253229299999999 0.0737065700000000 0.4981485600000000 0.4753229300000000 0.1762934300000000 0.2481485600000000 0.7253229299999999 0.9262934300000000 0.5018514400000000 0.0246770700000000 0.1762934300000000 0.2518514400000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 331.552000 EDIFF = 1.000000e-08 ISMEAR = 0 SIGMA = 1.000000e-02 IALGO = 38 LREAL = .FALSE. ADDGRID = .TRUE. LWAVE = .FALSE. LCHARG = .FALSE. NPAR = 4vasp-settings/KPOINTS-relaxAutomatic mesh0Gamma 2 1 1 0.000 0.000 0.000