# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/06149fe2-6d83-4213-9c38-23c187ec89c9/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 HoPtF7 / P2_1/c (14) / materials id 17651](https://mdr.nims.go.jp/datasets/fdf92545-8e44-494e-9359-6eb38710d8cb)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c> 112</c><c>F </c><c>     18.99800000</c><c>      7.00000000</c><c>  PAW_PBE F 08Apr2002                   </c></rc>    <rc><c>  16</c><c>Ho</c><c>    164.93000000</c><c>      9.00000000</c><c>  PAW_PBE Ho_3 06Sep2000                </c></rc>    <rc><c>  16</c><c>Pt</c><c>    195.08000000</c><c>     10.00000000</c><c>  PAW_PBE Pt 04Feb2005                  </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/POSCAR-unitcell F Ho Pt   1.0     8.7275273299999991    0.0000000000000000   -0.0121739000000000     0.0000000000000000    5.4222754100000001    0.0000000000000000    -5.4595259399999998    0.0000000000000000   10.4385747799999997 F Ho Pt  28   4   4Direct   0.2954318700000000  0.5625975300000000  0.9132957500000000   0.7045681300000000  0.0625975300000000  0.5867042499999999   0.7045681300000000  0.4374024700000000  0.0867042500000000   0.2954318700000000  0.9374024700000000  0.4132957500000000   0.7234012200000000  0.5629126200000000  0.5427333600000002   0.2765987800000000  0.0629126200000000  0.9572666399999999   0.2765987800000000  0.4370873800000000  0.4572666400000000   0.7234012200000000  0.9370873800000000  0.0427333600000000   0.4778095300000000  0.2262880000000000  0.8589832900000001   0.5221904700000000  0.7262880000000000  0.6410167099999999   0.5221904700000000  0.7737120000000000  0.1410167100000000   0.4778095300000000  0.2737120000000000  0.3589832900000000   0.9788510900000000  0.2462491400000000  0.0512064300000000   0.0211489100000000  0.7462491400000000  0.4487935700000000   0.0211489100000000  0.7537508600000000  0.9487935700000000   0.9788510900000000  0.2537508600000000  0.5512064300000000   0.2756548100000000  0.0392389900000000  0.6356530200000000   0.7243451900000000  0.5392389900000000  0.8643469800000000   0.7243451900000000  0.9607610100000000  0.3643469800000000   0.2756548100000000  0.4607610100000000  0.1356530200000000   0.2544802700000000  0.9463038800000000  0.1762107400000000   0.7455197300000000  0.4463038800000000  0.3237892600000000   0.7455197300000000  0.0536961200000000  0.8237892600000000   0.2544802700000000  0.5536961200000000  0.6762107399999999   0.0325265600000000  0.5899187100000001  0.2323201600000000   0.9674734400000000  0.0899187100000000  0.2676798400000000   0.9674734400000000  0.4100812900000000  0.7676798400000000   0.0325265600000000  0.9100812900000000  0.7323201600000000   0.1859574100000000  0.2392798000000000  0.7642115300000000   0.8140425900000000  0.7392798000000000  0.7357884699999999   0.8140425900000000  0.7607202000000000  0.2357884700000000   0.1859574100000000  0.2607202000000000  0.2642115300000000   0.7282744000000000  0.2422915600000000  0.9575512100000000   0.2717256000000000  0.7422915600000000  0.5424487900000000   0.2717256000000000  0.7577084400000000  0.0424487900000000   0.7282744000000000  0.2577084400000000  0.4575512100000000vasp-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     3     4     2 0.000 0.000 0.000