# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/0d678f5e-13dd-46ec-b81e-fe0605304c26/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 Na5InS4 / P2_1/m (11) / materials id 29376](https://mdr.nims.go.jp/datasets/ea34039e-45e7-46d0-8b53-325f04fce225)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     2     1 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     3     2     3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  40</c><c>Na</c><c>     22.99000000</c><c>      7.00000000</c><c>  PAW_PBE Na_pv 19Sep2006               </c></rc>    <rc><c>   8</c><c>In</c><c>    114.82000000</c><c>     13.00000000</c><c>  PAW_PBE In_d 06Sep2000                </c></rc>    <rc><c>  32</c><c>S </c><c>     32.06600000</c><c>      6.00000000</c><c>  PAW_PBE S 06Sep2000                   </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 337.429300     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 = 337.429300     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 Na In S   1.0     6.6890632400000003    0.0000000000000000   -0.0156476000000000     0.0000000000000000    8.7746710199999995    0.0000000000000000    -0.1088300700000000    0.0000000000000000    7.7891786600000001 Na In S  10   2   8Direct   0.6577141100000000  0.5198134500000000  0.6652313999999999   0.3422858900000000  0.0198134500000000  0.3347686000000000   0.3422858900000000  0.4801865500000000  0.3347686000000000   0.6577141100000000  0.9801865500000000  0.6652313999999999   0.9752048800000001  0.2500000000000000  0.5252429800000000   0.0247951200000000  0.7500000000000000  0.4747570200000000   0.6707474099999999  0.2500000000000000  0.1609992100000000   0.3292525900000000  0.7500000000000000  0.8390007900000001   0.0000000000000000  0.0000000000000000  0.0000000000000000   0.0000000000000000  0.5000000000000000  0.0000000000000000   0.3597133700000000  0.2500000000000000  0.8239014200000000   0.6402866300000001  0.7500000000000000  0.1760985800000000   0.2301930500000000  0.0193491500000000  0.6722902900000001   0.7698069500000000  0.5193491500000000  0.3277097100000000   0.7698069500000000  0.9806508500000000  0.3277097100000000   0.2301930500000000  0.4806508500000000  0.6722902900000001   0.7304511899999999  0.2500000000000000  0.8209084600000001   0.2695488100000000  0.7500000000000000  0.1790915400000000   0.2367751300000000  0.2500000000000000  0.1213210100000000   0.7632248699999999  0.7500000000000000  0.8786789900000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 337.429300     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     3     2     3 0.000 0.000 0.000