# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/4999ff21-c397-461f-8bf8-ad8f91fc95ba/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 RbSn / I4_1/acd (142) / materials id 11054](https://mdr.nims.go.jp/datasets/15c9f75a-2408-4dfb-a6c3-acf0439eb58b)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  32</c><c>Rb</c><c>     85.46800000</c><c>      7.00000000</c><c>  PAW_PBE Rb_pv 06Sep2000               </c></rc>    <rc><c>  32</c><c>Sn</c><c>    118.71000000</c><c>     14.00000000</c><c>  PAW_PBE Sn_d 06Sep2000                </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 313.407900     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 Rb Sn   1.0    11.6191857200000008    0.0000000000000000    0.0000000000000000     0.0000000000000000   11.6191857200000008    0.0000000000000000     0.0000000000000000    0.0000000000000000   19.1107683799999997 Rb Sn  32  32Direct   0.8610799500000000  0.7500000000000000  0.3750000000000000   0.2500000000000000  0.3610799500000000  0.6250000000000000   0.7500000000000000  0.6389200500000001  0.6250000000000000   0.1389200500000000  0.2500000000000000  0.3750000000000000   0.6389200500000001  0.2500000000000000  0.3750000000000000   0.7500000000000000  0.1389200500000000  0.6250000000000000   0.2500000000000000  0.8610799500000000  0.6250000000000000   0.3610799500000000  0.7500000000000000  0.3750000000000000   0.3788025000000000  0.3788025000000000  0.2500000000000000   0.6211975000000001  0.8788025000000000  0.5000000000000000   0.3788025000000000  0.1211975000000000  0.5000000000000000   0.6211975000000001  0.6211975000000001  0.2500000000000000   0.1211975000000000  0.6211975000000001  0.5000000000000000   0.8788025000000000  0.1211975000000000  0.2500000000000000   0.1211975000000000  0.8788025000000000  0.2500000000000000   0.8788025000000000  0.3788025000000000  0.5000000000000000   0.3610799500000000  0.2500000000000000  0.8750000000000000   0.7500000000000000  0.8610799500000000  0.1250000000000000   0.2500000000000000  0.1389200500000000  0.1250000000000000   0.6389200500000001  0.7500000000000000  0.8750000000000000   0.1389200500000000  0.7500000000000000  0.8750000000000000   0.2500000000000000  0.6389200500000001  0.1250000000000000   0.7500000000000000  0.3610799500000000  0.1250000000000000   0.8610799500000000  0.2500000000000000  0.8750000000000000   0.8788025000000000  0.8788025000000000  0.7500000000000000   0.1211975000000000  0.3788025000000000  0.0000000000000000   0.8788025000000000  0.6211975000000001  0.0000000000000000   0.1211975000000000  0.1211975000000000  0.7500000000000000   0.6211975000000001  0.1211975000000000  0.0000000000000000   0.3788025000000000  0.6211975000000001  0.7500000000000000   0.6211975000000001  0.3788025000000000  0.7500000000000000   0.3788025000000000  0.8788025000000000  0.0000000000000000   0.5629151700000000  0.3895959300000000  0.5548390500000000   0.1104040700000000  0.5629151700000000  0.3048390500000000   0.8895959300000000  0.4370848300000000  0.3048390500000000   0.5629151700000000  0.1104040700000000  0.1951609500000000   0.4370848300000000  0.8895959300000000  0.1951609500000000   0.8895959300000000  0.0629151700000000  0.4451609500000000   0.1104040700000000  0.9370848300000000  0.4451609500000000   0.4370848300000000  0.6104040700000000  0.5548390500000000   0.9370848300000000  0.6104040700000000  0.1951609500000000   0.3895959300000000  0.4370848300000000  0.4451609500000000   0.6104040700000000  0.5629151700000000  0.4451609500000000   0.9370848300000000  0.8895959300000000  0.5548390500000000   0.0629151700000000  0.1104040700000000  0.5548390500000000   0.6104040700000000  0.9370848300000000  0.3048390500000000   0.3895959300000000  0.0629151700000000  0.3048390500000000   0.0629151700000000  0.3895959300000000  0.1951609500000000   0.0629151700000000  0.8895959300000000  0.0548390500000000   0.6104040700000000  0.0629151700000000  0.8048390500000000   0.3895959300000000  0.9370848300000000  0.8048390500000000   0.0629151700000000  0.6104040700000000  0.6951609500000000   0.9370848300000000  0.3895959300000000  0.6951609500000000   0.3895959300000000  0.5629151700000000  0.9451609500000000   0.6104040700000000  0.4370848300000000  0.9451609500000000   0.9370848300000000  0.1104040700000000  0.0548390500000000   0.4370848300000000  0.1104040700000000  0.6951609500000000   0.8895959300000000  0.9370848300000000  0.9451609500000000   0.1104040700000000  0.0629151700000000  0.9451609500000000   0.4370848300000000  0.3895959300000000  0.0548390500000000   0.5629151700000000  0.6104040700000000  0.0548390500000000   0.1104040700000000  0.4370848300000000  0.8048390500000000   0.8895959300000000  0.5629151700000000  0.8048390500000000   0.5629151700000000  0.8895959300000000  0.6951609500000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 313.407900     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     1 0.000 0.000 0.000