# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/6d06846f-bf26-47cb-840d-e3d5a4df0aa2/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 / Cmc2_1 (36) / materials id 571636](https://mdr.nims.go.jp/datasets/55a4481d-32c1-4b5f-b178-2ecbd7c31315)

## 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     4.2248253499999997    0.0000000000000000    0.0000000000000000     0.0000000000000000   11.8451047599999999    0.0000000000000000     0.0000000000000000    0.0000000000000000    4.3528686499999996 In Cl   4   4Direct   0.0000000000000000  0.1066838400000000  0.7579062500000000   0.5000000000000000  0.3933161600000000  0.2579062500000000   0.5000000000000000  0.6066838400000000  0.7579062500000000   0.0000000000000000  0.8933161600000000  0.2579062500000000   0.0000000000000000  0.3454065300000000  0.7580937500000000   0.5000000000000000  0.1545934700000000  0.2580937500000000   0.5000000000000000  0.8454065300000000  0.7580937500000000   0.0000000000000000  0.6545934700000000  0.2580937500000000vasp-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