# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/d0049ca7-208b-4d8b-8499-1440801413be/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 SiOs / P2_13 (198) / materials id 2488](https://mdr.nims.go.jp/datasets/dac2f2c6-a1d5-4487-9849-b6ec86de8175)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     4     4     4 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  32</c><c>Si</c><c>     28.08500000</c><c>      4.00000000</c><c>  PAW_PBE Si 05Jan2001                  </c></rc>    <rc><c>  32</c><c>Os</c><c>    190.20000000</c><c>     14.00000000</c><c>  PAW_PBE Os_pv 20Jan2003               </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 318.948500     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 = 318.948500     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 Si Os   1.0     4.7432398100000004    0.0000000000000000    0.0000000000000000     0.0000000000000000    4.7432398100000004    0.0000000000000000     0.0000000000000000    0.0000000000000000    4.7432398100000004 Si Os   4   4Direct   0.1632517600000000  0.3367482400000000  0.6632517600000001   0.3367482400000000  0.6632517600000001  0.1632517600000000   0.6632517600000001  0.1632517600000000  0.3367482400000000   0.8367482400000000  0.8367482400000000  0.8367482400000000   0.8738179400000000  0.6261820600000000  0.3738179400000000   0.6261820600000000  0.3738179400000000  0.8738179400000000   0.3738179400000000  0.8738179400000000  0.6261820600000000   0.1261820600000000  0.1261820600000000  0.1261820600000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 318.948500     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     4     4 0.000 0.000 0.000