# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/c5f92a68-01f8-4bb2-838d-9ab4f09546a2/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 Rb2SnO3 / Cmce (64) / materials id 755448](https://mdr.nims.go.jp/datasets/1a9dce04-3f02-43a7-ad6e-83f680df5582)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     2     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  48</c><c>Rb</c><c>     85.46800000</c><c>      7.00000000</c><c>  PAW_PBE Rb_pv 06Sep2000               </c></rc>    <rc><c>  24</c><c>Sn</c><c>    118.71000000</c><c>     14.00000000</c><c>  PAW_PBE Sn_d 06Sep2000                </c></rc>    <rc><c>  72</c><c>O </c><c>     16.00000000</c><c>      6.00000000</c><c>  PAW_PBE O 08Apr2002                   </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 Rb Sn O   1.0     6.0506274099999997    0.0000000000000000    0.0000000000000000     0.0000000000000000   12.5247343799999999    0.0000000000000000     0.0000000000000000    0.0000000000000000   13.3462811000000006 Rb Sn O  16   8  24Direct   0.0000000000000000  0.9503278100000000  0.3619049500000000   0.0000000000000000  0.8760990000000000  0.9245394000000000   0.0000000000000000  0.6239010000000000  0.4245394000000000   0.5000000000000000  0.9503278100000000  0.1380950500000000   0.5000000000000000  0.5496721900000000  0.6380950500000000   0.5000000000000000  0.8760990000000000  0.5754606000000000   0.0000000000000000  0.5496721900000000  0.8619049500000000   0.5000000000000000  0.6239010000000000  0.0754606000000000   0.5000000000000000  0.4503278100000000  0.3619049500000000   0.5000000000000000  0.3760990000000000  0.9245394000000000   0.5000000000000000  0.1239010000000000  0.4245394000000000   0.0000000000000000  0.4503278100000000  0.1380950500000000   0.0000000000000000  0.0496721900000000  0.6380950500000000   0.0000000000000000  0.3760990000000000  0.5754606000000000   0.5000000000000000  0.0496721900000000  0.8619049500000000   0.0000000000000000  0.1239010000000000  0.0754606000000000   0.0000000000000000  0.7556933000000000  0.1624447000000000   0.0000000000000000  0.7443067000000000  0.6624447000000000   0.5000000000000000  0.7556933000000000  0.3375553000000000   0.5000000000000000  0.7443067000000000  0.8375553000000000   0.5000000000000000  0.2556933000000000  0.1624447000000000   0.5000000000000000  0.2443067000000000  0.6624447000000000   0.0000000000000000  0.2556933000000000  0.3375553000000000   0.0000000000000000  0.2443067000000000  0.8375553000000000   0.7500000000000000  0.7060767800000001  0.2500000000000000   0.2500000000000000  0.7939232200000000  0.7500000000000000   0.0000000000000000  0.9090032800000000  0.1444396100000000   0.0000000000000000  0.6598001200000000  0.0488308600000000   0.5000000000000000  0.8401998800000000  0.9511691400000000   0.5000000000000000  0.6598001200000000  0.4511691400000000   0.0000000000000000  0.8401998800000000  0.5488308600000000   0.0000000000000000  0.5909967199999999  0.6444396100000001   0.5000000000000000  0.9090032800000000  0.3555603900000000   0.5000000000000000  0.5909967199999999  0.8555603899999999   0.2500000000000000  0.7060767800000001  0.2500000000000000   0.7500000000000000  0.7939232200000000  0.7500000000000000   0.2500000000000000  0.2060767800000000  0.2500000000000000   0.7500000000000000  0.2939232200000000  0.7500000000000000   0.5000000000000000  0.4090032800000000  0.1444396100000000   0.5000000000000000  0.1598001200000000  0.0488308600000000   0.0000000000000000  0.3401998800000000  0.9511691400000000   0.0000000000000000  0.1598001200000000  0.4511691400000000   0.5000000000000000  0.3401998800000000  0.5488308600000000   0.5000000000000000  0.0909967200000000  0.6444396100000001   0.0000000000000000  0.4090032800000000  0.3555603900000000   0.0000000000000000  0.0909967200000000  0.8555603899999999   0.7500000000000000  0.2060767800000000  0.2500000000000000   0.2500000000000000  0.2939232200000000  0.7500000000000000vasp-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     3     2     1 0.000 0.000 0.000