# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/93db0300-7976-4c18-8a26-59e04a8d56b0/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 InSe / R3m (160) / materials id 22691](https://mdr.nims.go.jp/datasets/b4494a32-b99e-438f-90f2-90aca3b0d380)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     1 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     6     6     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  54</c><c>Se</c><c>     78.96000000</c><c>      6.00000000</c><c>  PAW_PBE Se 06Sep2000                  </c></rc>    <rc><c>  54</c><c>In</c><c>    114.82000000</c><c>     13.00000000</c><c>  PAW_PBE In_d 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/INCAR-nac      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.  LEPSILON = .TRUE.vasp-settings/POSCAR-unitcell Se In   1.0     4.0069244599999996    0.0000000000000000    0.0000000000000000    -2.0034622299999998    3.4700983700000001    0.0000000000000000     0.0000000000000000    0.0000000000000000   24.9278856399999995 Se In   6   6Direct   0.0000000000000000  0.0000000000000000  0.6158871000000000   0.3333333300000000  0.6666666700000000  0.4962804600000000   0.6666666700000000  0.3333333300000000  0.9492204300000000   0.0000000000000000  0.0000000000000000  0.8296138000000000   0.3333333300000000  0.6666666700000000  0.2825537700000000   0.6666666700000000  0.3333333300000000  0.1629471300000000   0.6666666700000000  0.3333333300000000  0.4450388200000000   0.6666666700000000  0.3333333300000000  0.3338269500000000   0.3333333300000000  0.6666666700000000  0.7783721500000000   0.3333333300000000  0.6666666700000000  0.6671602800000000   0.0000000000000000  0.0000000000000000  0.1117054900000000   0.0000000000000000  0.0000000000000000  0.0004936200000000vasp-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     6     6     1 0.000 0.000 0.000