# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/baf56c6b-d6e8-4517-86ba-93efe7f3645d/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 InSb2Se4Br / C2/m (12) / materials id 570321](https://mdr.nims.go.jp/datasets/c2430a29-7e79-4dba-80d3-ae35643561f6)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     1     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  16</c><c>In</c><c>    114.82000000</c><c>     13.00000000</c><c>  PAW_PBE In_d 06Sep2000                </c></rc>    <rc><c>  32</c><c>Sb</c><c>    121.75000000</c><c>      5.00000000</c><c>  PAW_PBE Sb 06Sep2000                  </c></rc>    <rc><c>  64</c><c>Se</c><c>     78.96000000</c><c>      6.00000000</c><c>  PAW_PBE Se 06Sep2000                  </c></rc>    <rc><c>  16</c><c>Br</c><c>     79.90400000</c><c>      7.00000000</c><c>  PAW_PBE Br 06Sep2000                  </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 310.974300     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 In Sb Se Br   1.0    20.6869013300000013    0.0000000000000000    0.1469299900000000     0.0000000000000000    3.9973716600000002    0.0000000000000000    -5.8071146499999999    0.0000000000000000   10.3282468099999996 In Sb Se Br   4   8  16   4Direct   0.6612687400000000  0.0000000000000000  0.4339433300000000   0.3387312600000000  0.0000000000000000  0.5660566700000000   0.1612687400000000  0.5000000000000000  0.4339433300000000   0.8387312600000000  0.5000000000000000  0.5660566700000000   0.2055877600000000  0.5000000000000000  0.0999796400000000   0.7944122400000000  0.5000000000000000  0.9000203600000000   0.5502674800000000  0.5000000000000000  0.7770896500000000   0.4497325200000000  0.5000000000000000  0.2229103500000000   0.7055877600000000  0.0000000000000000  0.0999796400000000   0.2944122400000000  0.0000000000000000  0.9000203600000000   0.0502674800000000  0.0000000000000000  0.7770896500000000   0.9497325200000000  0.0000000000000000  0.2229103500000000   0.0994965900000000  0.0000000000000000  0.0286439500000000   0.6773903500000000  0.0000000000000000  0.8566329400000000   0.3226096500000000  0.0000000000000000  0.1433670600000000   0.4643177900000000  0.0000000000000000  0.7917969800000000   0.2145729700000000  0.0000000000000000  0.3421783400000000   0.5356822100000000  0.0000000000000000  0.2082030200000000   0.7854270300000000  0.0000000000000000  0.6578216600000000   0.9005034100000000  0.0000000000000000  0.9713560500000000   0.5994965900000000  0.5000000000000000  0.0286439500000000   0.1773903500000000  0.5000000000000000  0.8566329400000000   0.8226096500000000  0.5000000000000000  0.1433670600000000   0.9643177900000000  0.5000000000000000  0.7917969800000000   0.7145729700000000  0.5000000000000000  0.3421783400000000   0.0356822100000000  0.5000000000000000  0.2082030200000000   0.2854270300000000  0.5000000000000000  0.6578216600000000   0.4005034100000000  0.5000000000000000  0.9713560500000000   0.6016321000000000  0.5000000000000000  0.5289579700000000   0.3983679000000000  0.5000000000000000  0.4710420300000000   0.1016321000000000  0.0000000000000000  0.5289579700000000   0.8983679000000000  0.0000000000000000  0.4710420300000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 310.974300     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     1     5     2 0.000 0.000 0.000