# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/1e2d4016-a716-42d8-8f84-f015bec0cf74/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 K4P21I / Cmcm (63) / materials id 31280](https://mdr.nims.go.jp/datasets/3d635dd8-1914-4713-8134-6ebf413a0da2)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 84P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 16K 39.09800000 7.00000000 PAW_PBE K_pv 17Jan2003 4I 126.90400000 7.00000000 PAW_PBE I 08Apr2002 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. 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0.5000000000000000 0.9005487400000000 0.2500000000000000 0.5000000000000000 0.0994512600000000 0.7500000000000000 0.0000000000000000 0.4005487400000000 0.2500000000000000 0.0000000000000000 0.5994512599999999 0.7500000000000000vasp-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 1 1 2 0.000 0.000 0.000