# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/ceb68ec5-3976-454d-8f21-a411f95abc96/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 / C2/c (15) / materials id 989633](https://mdr.nims.go.jp/datasets/b80078d1-d633-4dfa-b03f-66154c2f0c2a)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  16</c><c>La</c><c>    138.90000000</c><c>     11.00000000</c><c>  PAW_PBE La 06Sep2000                  </c></rc>    <rc><c>  16</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/POSCAR-unitcell La W N   1.0    10.7685640899999999    0.0000000000000000    0.0666401000000000     0.0000000000000000   10.0230437499999994    0.0000000000000000    -2.0143610100000000    0.0000000000000000    5.9859712800000002 La W N   8   8  24Direct   0.0000000000000000  0.9071738300000000  0.2500000000000000   0.0000000000000000  0.6897243800000000  0.7500000000000000   0.0000000000000000  0.3102756200000000  0.2500000000000000   0.0000000000000000  0.0928261700000000  0.7500000000000000   0.5000000000000000  0.4071738300000000  0.2500000000000000   0.5000000000000000  0.1897243800000000  0.7500000000000000   0.5000000000000000  0.8102756200000000  0.2500000000000000   0.5000000000000000  0.5928261699999999  0.7500000000000000   0.7917053300000000  0.5890168200000000  0.2472528700000000   0.2082946700000000  0.5890168200000000  0.2527471300000000   0.2082946700000000  0.4109831800000000  0.7527471299999999   0.7917053300000000  0.4109831800000000  0.7472528700000001   0.2917053300000000  0.0890168200000000  0.2472528700000000   0.7082946700000000  0.0890168200000000  0.2527471300000000   0.7082946700000000  0.9109831800000000  0.7527471299999999   0.2917053300000000  0.9109831800000000  0.7472528700000001   0.1499111400000000  0.5220112700000000  0.4952098400000000   0.8677390600000000  0.7443207100000000  0.3581502500000000   0.3867642700000000  0.6114243400000000  0.3466341900000000   0.8677390600000000  0.2556792900000000  0.8581502500000000   0.1322609400000000  0.2556792900000000  0.6418497500000000   0.6132357300000000  0.6114243400000000  0.1533658100000000   0.3867642700000000  0.3885756600000000  0.8466341900000001   0.8500888600000001  0.5220112700000000  0.0047901600000000   0.1499111400000000  0.4779887300000000  0.9952098400000000   0.8500888600000001  0.4779887300000000  0.5047901600000000   0.1322609400000000  0.7443207100000000  0.1418497500000000   0.6132357300000000  0.3885756600000000  0.6533658099999999   0.6499111399999999  0.0220112700000000  0.4952098400000000   0.3677390600000000  0.2443207100000000  0.3581502500000000   0.8867642700000000  0.1114243400000000  0.3466341900000000   0.3677390600000000  0.7556792900000000  0.8581502500000000   0.6322609400000000  0.7556792900000000  0.6418497500000000   0.1132357300000000  0.1114243400000000  0.1533658100000000   0.8867642700000000  0.8885756600000000  0.8466341900000001   0.3500888600000000  0.0220112700000000  0.0047901600000000   0.6499111399999999  0.9779887300000000  0.9952098400000000   0.3500888600000000  0.9779887300000000  0.5047901600000000   0.6322609400000000  0.2443207100000000  0.1418497500000000   0.1132357300000000  0.8885756600000000  0.6533658099999999vasp-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     3 0.000 0.000 0.000