# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/8390d659-a602-4f3c-af0c-c8a0ccc839ba/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 KH2N / P2_1/m (11) / materials id 24428](https://mdr.nims.go.jp/datasets/42085242-3ed5-48c9-b424-325c1de7733b)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     2     2 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>  72</c><c>H </c><c>      1.00000000</c><c>      1.00000000</c><c>  PAW_PBE H 15Jun2001                   </c></rc>    <rc><c>  36</c><c>N </c><c>     14.00100000</c><c>      5.00000000</c><c>  PAW_PBE N 08Apr2002                   </c></rc>    <rc><c>  36</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/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 H N K   1.0     4.5800957899999997    0.0000000000000000   -0.0934717800000000     0.0000000000000000    3.7309080699999999    0.0000000000000000    -0.7182484099999999    0.0000000000000000    6.1355365700000002 H N K   4   2   2Direct   0.1773464600000000  0.4634004900000000  0.1267408000000000   0.8226535400000000  0.9634004900000001  0.8732592000000000   0.1773464600000000  0.0365995100000000  0.1267408000000000   0.8226535400000000  0.5365995099999998  0.8732592000000000   0.2110018500000000  0.2500000000000000  0.2344767800000000   0.7889981500000001  0.7500000000000000  0.7655232199999999   0.7128769699999999  0.7500000000000000  0.3098005500000000   0.2871230300000000  0.2500000000000000  0.6901994499999999vasp-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