# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/494dbdaa-e0fa-4c79-9b47-954c5457fd9a/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 RbAg7S4 / P4/n (85) / materials id 30543](https://mdr.nims.go.jp/datasets/ba6db0f7-2da8-423c-bfef-b530b17316f0)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  32</c><c>S </c><c>     32.06600000</c><c>      6.00000000</c><c>  PAW_PBE S 06Sep2000                   </c></rc>    <rc><c>   8</c><c>Rb</c><c>     85.46800000</c><c>      7.00000000</c><c>  PAW_PBE Rb_pv 06Sep2000               </c></rc>    <rc><c>  56</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    10.7782651699999992   -0.0000000200000000    0.0000000000000000     0.0000000200000000   10.7782651699999992   -0.0000000000000000     0.0000000000000000   -0.0000000000000000    8.3039375900000003 S Rb Ag  16   4  28Direct   0.2467397400000000  0.5493194800000001  0.6258775800000000   0.7498208300000000  0.4468621600000000  0.1337580400000000   0.0531378400000000  0.2498208300000000  0.1337580400000000   0.9468621600000000  0.7501791700000000  0.1337580400000000   0.9506805200000000  0.7467397400000000  0.6258775800000000   0.0493194800000000  0.2532602600000000  0.6258775800000000   0.7532602600000000  0.4506805200000000  0.6258775800000000   0.2532602600000000  0.9506805200000000  0.3741224200000000   0.5493194800000001  0.7532602600000000  0.3741224200000000   0.2501791700000000  0.5531378400000000  0.1337580400000000   0.4506805200000000  0.2467397400000000  0.3741224200000000   0.2498208300000000  0.9468621600000000  0.8662419600000000   0.5531378400000000  0.7498208300000000  0.8662419600000000   0.4468621600000000  0.2501791700000000  0.8662419600000000   0.7501791700000000  0.0531378400000000  0.8662419600000000   0.7467397400000000  0.0493194800000000  0.3741224200000000   0.5000000000000000  0.0000000000000000  0.1206339100000000   0.0000000000000000  0.5000000000000000  0.8793660900000000   0.5000000000000000  0.0000000000000000  0.6208117000000000   0.0000000000000000  0.5000000000000000  0.3791883000000000   0.5197330200000000  0.3640059400000000  0.1216693800000000   0.6359940600000000  0.5197330200000000  0.8783306200000001   0.3640059400000000  0.4802669800000000  0.8783306200000001   0.9802669800000000  0.1359940600000000  0.8783306200000001   0.0197330200000000  0.8640059400000000  0.8783306200000001   0.6401196300000001  0.5412435500000000  0.3826523700000000   0.3598803700000000  0.4587564500000000  0.3826523700000000   0.9587564500000000  0.1401196300000000  0.3826523700000000   0.4587564500000000  0.6401196300000001  0.6173476300000000   0.8598803699999999  0.9587564500000000  0.6173476300000000   0.1401196300000000  0.0412435500000000  0.6173476300000000   0.5412435500000000  0.3598803700000000  0.6173476300000000   0.1359940600000000  0.0197330200000000  0.1216693800000000   0.8640059400000000  0.9802669800000000  0.1216693800000000   0.4802669800000000  0.6359940600000000  0.1216693800000000   0.7267817800000000  0.7125519000000000  0.6606880200000000   0.7874481000000000  0.2267817800000000  0.6606880200000000   0.2125519000000000  0.7732182200000000  0.6606880200000000   0.2732182200000000  0.2874481000000000  0.6606880200000000   0.7732182200000000  0.7874481000000000  0.3393119800000000   0.7125519000000000  0.2732182200000000  0.3393119800000000   0.2874481000000000  0.7267817800000000  0.3393119800000000   0.2267817800000000  0.2125519000000000  0.3393119800000000   0.2500000000000000  0.7500000000000000  0.0000000000000000   0.7500000000000000  0.7500000000000000  0.0000000000000000   0.2500000000000000  0.2500000000000000  0.0000000000000000   0.7500000000000000  0.2500000000000000  0.0000000000000000   0.0412435500000000  0.8598803699999999  0.3826523700000000vasp-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