# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/497f5c05-23e2-4ac1-bf14-f24deea9b278/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 / Fmmm (69) / materials id 8262](https://mdr.nims.go.jp/datasets/b0503f0f-ab11-4856-a1f0-e2d93e94e46b)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     2     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  48</c><c>P </c><c>     30.97400000</c><c>      5.00000000</c><c>  PAW_PBE P 06Sep2000                   </c></rc>    <rc><c>  32</c><c>K </c><c>     39.09800000</c><c>      7.00000000</c><c>  PAW_PBE K_pv 17Jan2003                </c></rc>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 P K   1.0     8.5851497699999992    0.0000000000000000    0.0000000000000000     0.0000000000000000    9.3221182200000001    0.0000000000000000     0.0000000000000000    0.0000000000000000   14.1533897199999998 P K  24  16Direct   0.7826181500000000  0.0000000000000000  0.0762659400000000   0.2826181500000000  0.0000000000000000  0.4237340600000000   0.7173818500000000  0.0000000000000000  0.4237340600000000   0.2173818500000000  0.0000000000000000  0.0762659400000000   0.0000000000000000  0.0000000000000000  0.1534842500000000   0.5000000000000000  0.0000000000000000  0.3465157500000000   0.7826181500000000  0.5000000000000000  0.5762659400000000   0.2826181500000000  0.5000000000000000  0.9237340600000000   0.7173818500000000  0.5000000000000000  0.9237340600000000   0.2173818500000000  0.5000000000000000  0.5762659400000000   0.0000000000000000  0.5000000000000000  0.6534842500000000   0.5000000000000000  0.5000000000000000  0.8465157500000000   0.2826181500000000  0.0000000000000000  0.5762659400000000   0.7826181500000000  0.0000000000000000  0.9237340600000000   0.2173818500000000  0.0000000000000000  0.9237340600000000   0.7173818500000000  0.0000000000000000  0.5762659400000000   0.5000000000000000  0.0000000000000000  0.6534842500000000   0.0000000000000000  0.0000000000000000  0.8465157500000000   0.2826181500000000  0.5000000000000000  0.0762659400000000   0.7826181500000000  0.5000000000000000  0.4237340600000000   0.2173818500000000  0.5000000000000000  0.4237340600000000   0.7173818500000000  0.5000000000000000  0.0762659400000000   0.5000000000000000  0.5000000000000000  0.1534842500000000   0.0000000000000000  0.5000000000000000  0.3465157500000000   0.2500000000000000  0.7500000000000000  0.2500000000000000   0.2500000000000000  0.2500000000000000  0.2500000000000000   0.5000000000000000  0.2284713500000000  0.0000000000000000   0.5000000000000000  0.7715286500000000  0.0000000000000000   0.2500000000000000  0.2500000000000000  0.7500000000000000   0.2500000000000000  0.7500000000000000  0.7500000000000000   0.5000000000000000  0.7284713500000000  0.5000000000000000   0.5000000000000000  0.2715286500000000  0.5000000000000000   0.7500000000000000  0.7500000000000000  0.7500000000000000   0.7500000000000000  0.2500000000000000  0.7500000000000000   0.0000000000000000  0.2284713500000000  0.5000000000000000   0.0000000000000000  0.7715286500000000  0.5000000000000000   0.7500000000000000  0.2500000000000000  0.2500000000000000   0.7500000000000000  0.7500000000000000  0.2500000000000000   0.0000000000000000  0.7284713500000000  0.0000000000000000   0.0000000000000000  0.2715286500000000  0.0000000000000000vasp-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     2     1 0.000 0.000 0.000