# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/bd5ae16c-28a3-4b9f-b2d5-cf5191a7f04a/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 RbIn3S5 / P2/m (10) / materials id 542654](https://mdr.nims.go.jp/datasets/b493953e-0c78-4045-853d-ca83948a932e)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     1     1 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     2     5     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  36</c><c>In</c><c>    114.82000000</c><c>     13.00000000</c><c>  PAW_PBE In_d 06Sep2000                </c></rc>    <rc><c>  60</c><c>S </c><c>     32.06600000</c><c>      6.00000000</c><c>  PAW_PBE S 06Sep2000                   </c></rc>    <rc><c>  12</c><c>Rb</c><c>     85.46800000</c><c>      7.00000000</c><c>  PAW_PBE Rb_pv 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/INCAR-nac      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.  LEPSILON = .TRUE.vasp-settings/POSCAR-unitcell In S Rb   1.0    12.3083471000000007    0.0000000000000000   -0.0173427700000000     0.0000000000000000    3.7788186300000000    0.0000000000000000    -5.8372547600000004    0.0000000000000000   14.1661213000000004 In S Rb   9  15   3Direct   0.8239976000000000  0.5000000000000000  0.8345456600000000   0.1760024000000000  0.5000000000000000  0.1654543400000000   0.5000000000000000  0.5000000000000000  0.5000000000000000   0.5178070200000000  0.0000000000000000  0.7136720300000000   0.4821929800000000  0.0000000000000000  0.2863279700000000   0.2212030000000000  0.5000000000000000  0.7273597400000000   0.7787970000000000  0.5000000000000000  0.2726402600000000   0.1166082900000000  0.0000000000000000  0.9300545400000000   0.8833917099999999  0.0000000000000000  0.0699454600000000   0.7281753100000000  0.0000000000000000  0.8978130700000000   0.2718246900000000  0.0000000000000000  0.1021869300000000   0.4407398700000000  0.5000000000000000  0.7897801500000000   0.5592601300000000  0.5000000000000000  0.2102198500000000   0.9322939600000000  0.0000000000000000  0.7813300500000000   0.0677060400000000  0.0000000000000000  0.2186699500000000   0.3801887500000000  0.0000000000000000  0.5411534700000000   0.6198112499999999  0.0000000000000000  0.4588465300000000   0.2331067900000000  0.5000000000000000  0.8935169900000000   0.7668932100000000  0.5000000000000000  0.1064830100000000   0.1225416000000000  0.0000000000000000  0.6264533500000000   0.8774584000000000  0.0000000000000000  0.3735466500000000   0.6420720799999999  0.5000000000000000  0.6787878800000000   0.3579279200000000  0.5000000000000000  0.3212121200000000   0.0000000000000000  0.5000000000000000  0.0000000000000000   0.5000000000000000  0.0000000000000000  0.0000000000000000   0.8627070700000000  0.5000000000000000  0.5742180500000000   0.1372929300000000  0.5000000000000000  0.4257819500000000vasp-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     5     1 0.000 0.000 0.000