# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/20923f6d-7010-4167-93ad-c001398a2641/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 LaWN3 / P2_1/m (11) / materials id 989646](https://mdr.nims.go.jp/datasets/043874c2-bbab-4bb0-9d31-831cd56e1e28)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     1 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     4     5     3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  24</c><c>La</c><c>    138.90000000</c><c>     11.00000000</c><c>  PAW_PBE La 06Sep2000                  </c></rc>    <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>  72</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 La W N   1.0     5.7958149700000003    0.0000000000000000    0.0146086900000000     0.0000000000000000    3.8583400900000000    0.0000000000000000    -2.6052252800000000    0.0000000000000000    7.4708664599999999 La W N   2   2   6Direct   0.7533300300000000  0.7500000000000000  0.8150884600000000   0.2466699700000000  0.2500000000000000  0.1849115400000000   0.8595425600000000  0.7500000000000000  0.3317366600000000   0.1404574400000000  0.2500000000000000  0.6682633400000000   0.9643113000000000  0.7500000000000000  0.1335025300000000   0.0356887000000000  0.2500000000000000  0.8664974700000000   0.0245605600000000  0.7500000000000000  0.6102715200000000   0.9754394400000000  0.2500000000000000  0.3897284800000000   0.5314171400000001  0.7500000000000000  0.2585736500000000   0.4685828600000000  0.2500000000000000  0.7414263500000000vasp-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     5     3 0.000 0.000 0.000