# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/69b88ce0-4f27-4df6-a89a-a9eb12e8f0f1/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 WS2 / R3m (160) / materials id 9813](https://mdr.nims.go.jp/datasets/d4fafe13-13ad-47e8-8bb9-6e5050500bea)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     1 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     7     7     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  96</c><c>S </c><c>     32.06600000</c><c>      6.00000000</c><c>  PAW_PBE S 06Sep2000                   </c></rc>    <rc><c>  48</c><c>W </c><c>    183.85000000</c><c>     14.00000000</c><c>  PAW_PBE W_sv 04Sep2015                </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 336.295700     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 = 336.295700     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 S W   1.0     3.1466200400000002    0.0000000000000000    0.0000000000000000    -1.5733100099999999    2.7250528799999998    0.0000000000000000     0.0000000000000000    0.0000000000000000   18.8998927200000004 S W   6   3Direct   0.3333333300000000  0.6666666700000000  0.0836261500000000   0.0000000000000000  0.0000000000000000  0.2510709200000000   0.0000000000000000  0.0000000000000000  0.4169594800000000   0.6666666700000000  0.3333333300000000  0.5844042600000000   0.6666666700000000  0.3333333300000000  0.7502928200000000   0.3333333300000000  0.6666666700000000  0.9177375900000000   0.0000000000000000  0.0000000000000000  0.0006696000000000   0.6666666700000000  0.3333333300000000  0.3340029400000000   0.3333333300000000  0.6666666700000000  0.6673362700000001vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 336.295700     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     7     7     1 0.000 0.000 0.000