# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/bf31f133-bc8a-451a-8d75-b9963d633f44/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 InHO2 / Pmn2_1 (31) / materials id 504535](https://mdr.nims.go.jp/datasets/a5d0ae51-9337-45a8-b999-25ddd907a4f6)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     1     2 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     6     4     4 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  36</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>O </c><c>     16.00000000</c><c>      6.00000000</c><c>  PAW_PBE O 08Apr2002                   </c></rc>    <rc><c>  36</c><c>H </c><c>      1.00000000</c><c>      1.00000000</c><c>  PAW_PBE H 15Jun2001                   </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/INCAR-nac      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.  LEPSILON = .TRUE.vasp-settings/POSCAR-unitcell In O H   1.0     3.2925910400000000    0.0000000000000000    0.0000000000000000     0.0000000000000000    4.5533251400000001    0.0000000000000000     0.0000000000000000    0.0000000000000000    5.2942942100000003 In O H   2   4   2Direct   0.0000000000000000  0.7353425900000000  0.9987942600000000   0.5000000000000000  0.2646574100000000  0.4987942600000000   0.0000000000000000  0.5278810400000000  0.6324561000000000   0.5000000000000000  0.4721189600000000  0.1324561000000000   0.0000000000000000  0.9771271900000000  0.3653175900000000   0.5000000000000000  0.0228728100000000  0.8653175900000000   0.0000000000000000  0.7829922800000000  0.4854320500000000   0.5000000000000000  0.2170077200000000  0.9854320500000000vasp-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     6     4     4 0.000 0.000 0.000