# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/0a0bb6b5-8e28-4b8b-b0a0-06dfe67357eb/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 RbSnS4 / P2_1/c (14) / materials id 541380](https://mdr.nims.go.jp/datasets/553cafe6-dcca-4420-a670-062ad61bf61f)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     2     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  16</c><c>Sn</c><c>    118.71000000</c><c>     14.00000000</c><c>  PAW_PBE Sn_d 06Sep2000                </c></rc>    <rc><c>  16</c><c>Rb</c><c>     85.46800000</c><c>      7.00000000</c><c>  PAW_PBE Rb_pv 06Sep2000               </c></rc>    <rc><c>  64</c><c>S </c><c>     32.06600000</c><c>      6.00000000</c><c>  PAW_PBE S 06Sep2000                   </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 336.295700     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 Sn Rb S   1.0     9.7618685400000000    0.0000000000000000    0.0450160600000000     0.0000000000000000    9.9706375000000005    0.0000000000000000    -5.6851407399999996    0.0000000000000000   13.8118127200000007 Sn Rb S   8   8  32Direct   0.0089112400000000  0.8244024200000000  0.9876059200000000   0.9910887600000000  0.3244024200000000  0.5123940800000000   0.9910887600000000  0.1755975800000000  0.0123940800000000   0.0089112400000000  0.6755975800000000  0.4876059200000000   0.1911380600000000  0.0000703200000000  0.5943501700000000   0.8088619400000000  0.5000703200000001  0.9056498300000000   0.8088619400000000  0.9999296800000000  0.4056498300000000   0.1911380600000000  0.4999296800000000  0.0943501700000000   0.1413973900000000  0.6388353099999999  0.7967521800000000   0.8586026099999999  0.1388353100000000  0.7032478200000001   0.8586026099999999  0.3611646900000000  0.2032478200000000   0.1413973900000000  0.8611646900000001  0.2967521800000000   0.6231728300000000  0.7271608700000001  0.5947899200000000   0.3768271700000000  0.2271608700000000  0.9052100800000000   0.3768271700000000  0.2728391300000000  0.4052100800000000   0.6231728300000000  0.7728391300000000  0.0947899200000000   0.2532949600000000  0.7265985300000000  0.0399303100000000   0.7467050399999999  0.2265985300000000  0.4600696900000000   0.7467050399999999  0.2734014700000000  0.9600696900000000   0.2532949600000000  0.7734014700000000  0.5399303100000000   0.9156037800000000  0.9657860900000000  0.0826134400000000   0.0843962200000000  0.4657860900000000  0.4173865600000000   0.0843962200000000  0.0342139100000000  0.9173865600000000   0.9156037800000000  0.5342139100000001  0.5826134400000000   0.0629675300000000  0.1025317100000000  0.4251161400000000   0.9370324700000000  0.6025317100000001  0.0748838600000000   0.9370324700000000  0.8974682899999999  0.5748838600000000   0.0629675300000000  0.3974682900000000  0.9251161400000000   0.2905573400000000  0.9350534400000000  0.7759929400000000   0.7094426600000000  0.4350534400000000  0.7240070599999999   0.7094426600000000  0.0649465600000000  0.2240070600000000   0.2905573400000000  0.5649465600000000  0.2759929400000000   0.8396654000000000  0.7305768200000000  0.8376981400000000   0.1603346000000000  0.2305768200000000  0.6623018600000000   0.1603346000000000  0.2694231800000000  0.1623018600000000   0.8396654000000000  0.7694231800000000  0.3376981400000000   0.4946082500000000  0.8566866399999999  0.8004144300000000   0.5053917500000000  0.3566866400000000  0.6995855700000000   0.5053917500000000  0.1433133600000000  0.1995855700000000   0.4946082500000000  0.6433133600000001  0.3004144300000000   0.4626759600000000  0.6531445900000000  0.7712143499999999   0.5373240400000000  0.1531445900000000  0.7287856500000001   0.5373240400000000  0.3468554100000000  0.2287856500000000   0.4626759600000000  0.8468554100000000  0.2712143500000000   0.5470821400000000  0.5573791100000001  0.9016562700000000   0.4529178600000000  0.0573791100000000  0.5983437300000001   0.4529178600000000  0.4426208900000000  0.0983437300000000   0.5470821400000000  0.9426208900000000  0.4016562700000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 336.295700     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