# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/6701297c-efc9-4974-ba7e-450bc057795f/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 Sr3InRhO6 / R-3c (167) / materials id 669389](https://mdr.nims.go.jp/datasets/c993af8e-3e7c-4bba-80ed-9e606fa35c88)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  18</c><c>Sr</c><c>     87.62000000</c><c>     10.00000000</c><c>  PAW_PBE Sr_sv 07Sep2000               </c></rc>    <rc><c>   6</c><c>In</c><c>    114.82000000</c><c>     13.00000000</c><c>  PAW_PBE In_d 06Sep2000                </c></rc>    <rc><c>   6</c><c>Rh</c><c>    102.90600000</c><c>     15.00000000</c><c>  PAW_PBE Rh_pv 25Jan2005               </c></rc>    <rc><c>  36</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 Sr In Rh O   1.0     9.5556410500000002    0.0000000000000000    0.0000000000000000    -4.7778205299999996    8.2754279000000004    0.0000000000000000     0.0000000000000000    0.0000000000000000   11.4555037399999993 Sr In Rh O  18   6   6  36Direct   0.0352668800000000  0.7019335500000000  0.5833333300000000   0.6666666700000000  0.9647331200000000  0.5833333300000000   0.7019335500000000  0.6666666700000000  0.4166666700000000   0.3333333300000000  0.0352668800000000  0.4166666700000000   0.9647331200000000  0.2980664500000000  0.4166666700000000   0.2980664500000000  0.3333333300000000  0.5833333300000000   0.7019335500000000  0.0352668800000000  0.9166666700000000   0.3333333300000000  0.2980664500000000  0.9166666700000000   0.3686002200000000  0.0000000000000000  0.7500000000000000   0.0000000000000000  0.3686002200000000  0.7500000000000000   0.6313997800000000  0.6313997800000000  0.7500000000000000   0.9647331200000000  0.6666666700000000  0.9166666700000000   0.3686002200000000  0.3686002200000000  0.2500000000000000   0.0000000000000000  0.6313997800000000  0.2500000000000000   0.0352668800000000  0.3333333300000000  0.0833333300000000   0.6666666700000000  0.7019335500000000  0.0833333300000000   0.2980664500000000  0.9647331200000000  0.0833333300000000   0.6313997800000000  0.0000000000000000  0.2500000000000000   0.0000000000000000  0.0000000000000000  0.2500000000000000   0.0000000000000000  0.0000000000000000  0.7500000000000000   0.6666666700000000  0.3333333300000000  0.5833333300000000   0.6666666700000000  0.3333333300000000  0.0833333300000000   0.3333333300000000  0.6666666700000000  0.9166666700000000   0.3333333300000000  0.6666666700000000  0.4166666700000000   0.3333333300000000  0.6666666700000000  0.6666666700000000   0.0000000000000000  0.0000000000000000  0.5000000000000000   0.0000000000000000  0.0000000000000000  0.0000000000000000   0.6666666700000000  0.3333333300000000  0.8333333300000000   0.6666666700000000  0.3333333300000000  0.3333333300000000   0.3333333300000000  0.6666666700000000  0.1666666700000000   0.1747461700000000  0.0200147400000000  0.6137527800000000   0.1547314400000000  0.1747461700000000  0.3862472200000000   0.1585871600000000  0.5119352300000000  0.5529138900000000   0.3533480800000000  0.8414128400000001  0.5529138900000000   0.4880647700000000  0.6466519200000000  0.5529138900000000   0.8452685600000001  0.8252538300000000  0.6137527800000000   0.6466519200000000  0.1585871600000000  0.4470861100000000   0.8252538300000000  0.9799852600000000  0.3862472200000000   0.8414128400000001  0.4880647700000000  0.4470861100000000   0.5119352300000000  0.3533480800000000  0.4470861100000000   0.9799852600000000  0.1547314400000000  0.6137527800000000   0.0200147400000000  0.8452685600000001  0.3862472200000000   0.8414128400000001  0.3533480800000000  0.9470861100000000   0.8213981000000000  0.5080795000000000  0.7195805500000000   0.8252538300000000  0.8452685600000001  0.8862472200000000   0.0200147400000000  0.1747461700000000  0.8862472200000000   0.1547314400000000  0.9799852600000000  0.8862472200000000   0.5119352300000000  0.1585871600000000  0.9470861100000000   0.3133185900000000  0.4919205000000000  0.7804194500000000   0.4919205000000000  0.3133185900000000  0.7195805500000000   0.5080795000000000  0.8213981000000000  0.7804194500000000   0.1786019000000000  0.6866814100000000  0.7804194500000000   0.6466519200000000  0.4880647700000000  0.9470861100000000   0.6866814100000000  0.1786019000000000  0.7195805500000000   0.5080795000000000  0.6866814100000000  0.2804194500000000   0.4880647700000000  0.8414128400000001  0.0529138900000000   0.4919205000000000  0.1786019000000000  0.2195805500000000   0.6866814100000000  0.5080795000000000  0.2195805500000000   0.8213981000000000  0.3133185900000000  0.2195805500000000   0.1786019000000000  0.4919205000000000  0.2804194500000000   0.9799852600000000  0.8252538300000000  0.1137527800000000   0.1585871600000000  0.6466519200000000  0.0529138900000000   0.1747461700000000  0.1547314400000000  0.1137527800000000   0.8452685600000001  0.0200147400000000  0.1137527800000000   0.3133185900000000  0.8213981000000000  0.2804194500000000   0.3533480800000000  0.5119352300000000  0.0529138900000000vasp-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