# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/1c90c34a-e335-4368-90f7-c661c0df6e8b/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 RbAg5S3 / P-62c (190) / materials id 28703](https://mdr.nims.go.jp/datasets/5622ba16-13c6-41fe-8cb2-cf9c3920bedd)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  36</c><c>S </c><c>     32.06600000</c><c>      6.00000000</c><c>  PAW_PBE S 06Sep2000                   </c></rc>    <rc><c>  12</c><c>Rb</c><c>     85.46800000</c><c>      7.00000000</c><c>  PAW_PBE Rb_pv 06Sep2000               </c></rc>    <rc><c>  60</c><c>Ag</c><c>    107.86800000</c><c>     17.00000000</c><c>  PAW_PBE Ag_pv 09Dec2005               </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 387.224500     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 S Rb Ag   1.0    13.1497670499999995    0.0000000000000000    0.0000000000000000    -6.5748835200000002   11.3880323200000007    0.0000000000000000     0.0000000000000000    0.0000000000000000    7.9723823200000004 S Rb Ag  18   6  30Direct   0.8570506300000000  0.7788098999999999  0.7500000000000000   0.9217592700000000  0.1429493700000000  0.7500000000000000   0.2211901000000000  0.0782407300000000  0.7500000000000000   0.8881980200000000  0.4768786400000000  0.7500000000000000   0.5886806200000000  0.1118019800000000  0.7500000000000000   0.5231213600000000  0.4113193800000000  0.7500000000000000   0.2193670900000000  0.7776316599999999  0.7500000000000000   0.5582645800000000  0.7806329100000000  0.7500000000000000   0.2223683400000000  0.4417354200000000  0.7500000000000000   0.1429493700000000  0.9217592700000000  0.2500000000000000   0.7788098999999999  0.8570506300000000  0.2500000000000000   0.0782407300000000  0.2211901000000000  0.2500000000000000   0.7806329100000000  0.5582645800000000  0.2500000000000000   0.7776316599999999  0.2193670900000000  0.2500000000000000   0.4417354200000000  0.2223683400000000  0.2500000000000000   0.1118019800000000  0.5886806200000000  0.2500000000000000   0.4768786400000000  0.8881980200000000  0.2500000000000000   0.4113193800000000  0.5231213600000000  0.2500000000000000   0.6666666700000000  0.3333333300000000  0.9990155200000000   0.6666666700000000  0.3333333300000000  0.5009844800000001   0.0000000000000000  0.0000000000000000  0.0000000000000000   0.0000000000000000  0.0000000000000000  0.5000000000000000   0.3333333300000000  0.6666666700000000  0.0009844800000000   0.3333333300000000  0.6666666700000000  0.4990155200000000   0.9981911100000000  0.3733001200000000  0.2500000000000000   0.6266998800000000  0.6248909899999999  0.2500000000000000   0.3751090100000000  0.0018088900000000  0.2500000000000000   0.0018088900000000  0.3751090100000000  0.7500000000000000   0.6248909899999999  0.6266998800000000  0.7500000000000000   0.3733001200000000  0.9981911100000000  0.7500000000000000   0.4548484300000000  0.4548484300000000  0.0000000000000000   0.5451515700000000  0.0000000000000000  0.5000000000000000   0.0000000000000000  0.5451515700000000  0.5000000000000000   0.0000000000000000  0.5451515700000000  0.0000000000000000   0.5451515700000000  0.0000000000000000  0.0000000000000000   0.4548484300000000  0.4548484300000000  0.5000000000000000   0.3323736700000000  0.1438058500000000  0.9996941300000000   0.8561941500000000  0.1885678000000000  0.5003058700000000   0.8114322000000000  0.6676263300000000  0.5003058700000000   0.8114322000000000  0.6676263300000000  0.9996941300000000   0.8561941500000000  0.1885678000000000  0.9996941300000000   0.3323736700000000  0.1438058500000000  0.5003058700000000   0.1438058500000000  0.3323736700000000  0.0003058700000000   0.6676263300000000  0.8114322000000000  0.4996941300000000   0.1885678000000000  0.8561941500000000  0.4996941300000000   0.1885678000000000  0.8561941500000000  0.0003058700000000   0.6676263300000000  0.8114322000000000  0.0003058700000000   0.1438058500000000  0.3323736700000000  0.4996941300000000   0.0058863200000000  0.7168383500000000  0.7500000000000000   0.7109520100000000  0.9941136800000000  0.7500000000000000   0.2831616500000000  0.2890479900000000  0.7500000000000000   0.9941136800000000  0.7109520100000000  0.2500000000000000   0.7168383500000000  0.0058863200000000  0.2500000000000000   0.2890479900000000  0.2831616500000000  0.2500000000000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 387.224500     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     2 0.000 0.000 0.000