# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/28a97953-f6bf-481b-9a52-9d97efc8e899/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 K3P6N11 / P4_132 (213) / materials id 14565](https://mdr.nims.go.jp/datasets/c7e148b0-6145-46eb-807f-a162094a3186)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  44</c><c>N </c><c>     14.00100000</c><c>      5.00000000</c><c>  PAW_PBE N 08Apr2002                   </c></rc>    <rc><c>  24</c><c>P </c><c>     30.97400000</c><c>      5.00000000</c><c>  PAW_PBE P 06Sep2000                   </c></rc>    <rc><c>  12</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 = 520.000000     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 N P K   1.0    10.4361209499999994    0.0000000000000000    0.0000000000000000     0.0000000000000000   10.4361209499999994    0.0000000000000000     0.0000000000000000    0.0000000000000000   10.4361209499999994 N P K  44  24  12Direct   0.5463928700000000  0.5463928700000000  0.5463928700000000   0.7963928700000000  0.7036071300000000  0.2963928700000000   0.7036071300000000  0.2963928700000000  0.7963928700000000   0.2963928700000000  0.7963928700000000  0.7036071300000000   0.0463928700000000  0.9536071300000000  0.4536071300000000   0.9536071300000000  0.4536071300000000  0.0463928700000000   0.4536071300000000  0.0463928700000000  0.9536071300000000   0.2036071300000000  0.2036071300000000  0.2036071300000000   0.6250000000000000  0.3023280300000000  0.5523280300000000   0.6976719700000000  0.0523280300000000  0.8750000000000000   0.5523280300000000  0.6250000000000000  0.3023280300000000   0.9476719700000000  0.3750000000000000  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0.1250000000000000  0.6250000000000000  0.8750000000000000   0.6250000000000000  0.8750000000000000  0.1250000000000000   0.3750000000000000  0.3750000000000000  0.3750000000000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 520.000000     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     2 0.000 0.000 0.000