# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/1b80a692-6ac6-436a-ab5f-21edb525d034/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 WN2 / P3_121 (152) / materials id 754629](https://mdr.nims.go.jp/datasets/053ec177-2c1a-414b-9cf1-e03e74cbb058)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     4     4     3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  24</c><c>W </c><c>    183.85000000</c><c>     14.00000000</c><c>  PAW_PBE W_sv 04Sep2015                </c></rc>    <rc><c>  48</c><c>N </c><c>     14.00100000</c><c>      5.00000000</c><c>  PAW_PBE N 08Apr2002                   </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/INCAR-nac      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.  LEPSILON = .TRUE.vasp-settings/POSCAR-unitcell W N   1.0     5.8279199799999999    0.0000000000000000    0.0000000000000000    -2.9139599999999999    5.0471267700000002    0.0000000000000000     0.0000000000000000    0.0000000000000000    6.4128943500000002 W N   3   6Direct   0.4999368500000000  0.4999368500000000  0.5000000000000000   0.5000631500000000  0.0000000000000000  0.8333333300000000   0.0000000000000000  0.5000631500000000  0.1666666700000000   0.2114610800000000  0.4231345300000000  0.3334063900000000   0.5768654700000000  0.7883265500000000  0.6667397200000000   0.2116734500000000  0.7885389200000000  0.0000730500000000   0.7885389200000000  0.2116734500000000  0.9999269500000000   0.4231345300000000  0.2114610800000000  0.6665936100000001   0.7883265500000000  0.5768654700000000  0.3332602800000000vasp-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     4     4     3 0.000 0.000 0.000