# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/d8bc4a12-eb21-4d65-88fa-a26d280d4830/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 InCl / Cmcm (63) / materials id 571555](https://mdr.nims.go.jp/datasets/17dd051a-c5d0-40a0-8ad0-e55fae36e9cd)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     1     2 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     5     2     5 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  72</c><c>In</c><c>    114.82000000</c><c>     13.00000000</c><c>  PAW_PBE In_d 06Sep2000                </c></rc>    <rc><c>  72</c><c>Cl</c><c>     35.45300000</c><c>      7.00000000</c><c>  PAW_PBE Cl 06Sep2000                  </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 341.213600     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 = 341.213600     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 Cl   1.0     4.2226631000000001    0.0000000000000000    0.0000000000000000     0.0000000000000000   11.8415187700000004    0.0000000000000000     0.0000000000000000    0.0000000000000000    4.3545479599999997 In Cl   4   4Direct   0.5000000000000000  0.1066478600000000  0.7500000000000000   0.0000000000000000  0.3933521400000000  0.2500000000000000   0.0000000000000000  0.6066478600000000  0.7500000000000000   0.5000000000000000  0.8933521400000000  0.2500000000000000   0.0000000000000000  0.1545764500000000  0.2500000000000000   0.5000000000000000  0.3454235500000000  0.7500000000000000   0.5000000000000000  0.6545764500000000  0.2500000000000000   0.0000000000000000  0.8454235500000000  0.7500000000000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 341.213600     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     5     2     4 0.000 0.000 0.000