# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/5a67265e-36bf-4867-85e3-b3ed69d84522/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 AgSbF6 / Ia-3 (206) / materials id 3414](https://mdr.nims.go.jp/datasets/e5ba8896-126d-48e7-aa34-4de98e534f56)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  48</c><c>F </c><c>     18.99800000</c><c>      7.00000000</c><c>  PAW_PBE F 08Apr2002                   </c></rc>    <rc><c>   8</c><c>Ag</c><c>    107.86800000</c><c>     17.00000000</c><c>  PAW_PBE Ag_pv 09Dec2005               </c></rc>    <rc><c>   8</c><c>Sb</c><c>    121.75000000</c><c>      5.00000000</c><c>  PAW_PBE Sb 06Sep2000                  </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 520.000000     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 F Ag Sb   1.0     9.7080041300000008    0.0000000000000000    0.0000000000000000     0.0000000000000000    9.7080041300000008    0.0000000000000000     0.0000000000000000    0.0000000000000000    9.7080041300000008 F Ag Sb  48   8   8Direct   0.0630980200000000  0.6169057499999999  0.3542099700000000   0.4369019800000000  0.3830942500000000  0.8542099700000000   0.9369019800000000  0.1169057500000000  0.1457900300000000   0.3830942500000000  0.1457900300000000  0.0630980200000000   0.1457900300000000  0.0630980200000000  0.3830942500000000   0.3542099700000000  0.0630980200000000  0.6169057499999999   0.3830942500000000  0.8542099700000000  0.4369019800000000   0.1457900300000000  0.9369019800000000  0.1169057500000000   0.4369019800000000  0.1169057500000000  0.3542099700000000   0.3830942500000000  0.3542099700000000  0.5630980200000000   0.6457900300000000  0.0630980200000000  0.1169057500000000   0.8830942500000000  0.1457900300000000  0.4369019800000000   0.3542099700000000  0.5630980200000000  0.3830942500000000   0.1169057500000000  0.6457900300000000  0.0630980200000000   0.1457900300000000  0.4369019800000000  0.8830942500000000   0.3542099700000000  0.4369019800000000  0.1169057500000000   0.1169057500000000  0.3542099700000000  0.4369019800000000   0.5630980200000000  0.3830942500000000  0.3542099700000000   0.0630980200000000  0.1169057500000000  0.6457900300000000   0.4369019800000000  0.8830942500000000  0.1457900300000000   0.0630980200000000  0.3830942500000000  0.1457900300000000   0.1169057500000000  0.1457900300000000  0.9369019800000000   0.8542099700000000  0.4369019800000000  0.3830942500000000   0.6169057499999999  0.3542099700000000  0.0630980200000000   0.5630980200000000  0.1169057500000000  0.8542099700000000   0.9369019800000000  0.8830942500000000  0.3542099700000000   0.4369019800000000  0.6169057499999999  0.6457900300000000   0.8830942500000000  0.6457900300000000  0.5630980200000000   0.6457900300000000  0.5630980200000000  0.8830942500000000   0.8542099700000000  0.5630980200000000  0.1169057500000000   0.8830942500000000  0.3542099700000000  0.9369019800000000   0.6457900300000000  0.4369019800000000  0.6169057499999999   0.9369019800000000  0.6169057499999999  0.8542099700000000   0.8830942500000000  0.8542099700000000  0.0630980200000000   0.1457900300000000  0.5630980200000000  0.6169057499999999   0.3830942500000000  0.6457900300000000  0.9369019800000000   0.8542099700000000  0.0630980200000000  0.8830942500000000   0.6169057499999999  0.1457900300000000  0.5630980200000000   0.6457900300000000  0.9369019800000000  0.3830942500000000   0.8542099700000000  0.9369019800000000  0.6169057499999999   0.6169057499999999  0.8542099700000000  0.9369019800000000   0.0630980200000000  0.8830942500000000  0.8542099700000000   0.5630980200000000  0.6169057499999999  0.1457900300000000   0.9369019800000000  0.3830942500000000  0.6457900300000000   0.5630980200000000  0.8830942500000000  0.6457900300000000   0.6169057499999999  0.6457900300000000  0.4369019800000000   0.3542099700000000  0.9369019800000000  0.8830942500000000   0.1169057500000000  0.8542099700000000  0.5630980200000000   0.2500000000000000  0.2500000000000000  0.2500000000000000   0.2500000000000000  0.2500000000000000  0.7500000000000000   0.7500000000000000  0.2500000000000000  0.2500000000000000   0.2500000000000000  0.7500000000000000  0.2500000000000000   0.7500000000000000  0.7500000000000000  0.7500000000000000   0.7500000000000000  0.7500000000000000  0.2500000000000000   0.2500000000000000  0.7500000000000000  0.7500000000000000   0.7500000000000000  0.2500000000000000  0.7500000000000000   0.0000000000000000  0.0000000000000000  0.0000000000000000   0.5000000000000000  0.0000000000000000  0.0000000000000000   0.0000000000000000  0.5000000000000000  0.0000000000000000   0.0000000000000000  0.0000000000000000  0.5000000000000000   0.5000000000000000  0.5000000000000000  0.5000000000000000   0.0000000000000000  0.5000000000000000  0.5000000000000000   0.5000000000000000  0.0000000000000000  0.5000000000000000   0.5000000000000000  0.5000000000000000  0.0000000000000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 520.000000     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