# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/755bc166-463c-4b97-97de-f28cf9915b0e/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 DyPtF7 / P2_1/c (14) / materials id 17160](https://mdr.nims.go.jp/datasets/337e3b18-07a3-49a4-943e-996e25ecf2ed)

## 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>Dy</c><c>    162.50000000</c><c>      9.00000000</c><c>  PAW_PBE Dy_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 Dy Pt   1.0     8.7654186599999999    0.0000000000000000   -0.0126965200000000     0.0000000000000000    5.4389655000000001    0.0000000000000000    -5.4908161499999997    0.0000000000000000   10.4649332800000003 F Dy Pt  28   4   4Direct   0.2949875300000000  0.5629873599999999  0.9134318800000000   0.7050124700000000  0.0629873600000000  0.5865681200000000   0.7050124700000000  0.4370126400000000  0.0865681200000000   0.2949875300000000  0.9370126400000000  0.4134318800000000   0.7227533300000000  0.5615957600000000  0.5423392800000000   0.2772466700000000  0.0615957600000000  0.9576607200000000   0.2772466700000000  0.4384042400000000  0.4576607200000000   0.7227533300000000  0.9384042400000000  0.0423392800000000   0.4785596700000000  0.2274054200000000  0.8592667300000000   0.5214403300000000  0.7274054200000000  0.6407332700000000   0.5214403300000000  0.7725945800000000  0.1407332700000000   0.4785596700000000  0.2725945800000000  0.3592667300000000   0.9778972800000000  0.2458756400000000  0.0510366600000000   0.0221027200000000  0.7458756400000000  0.4489633400000000   0.0221027200000000  0.7541243600000000  0.9489633400000000   0.9778972800000000  0.2541243600000000  0.5510366600000001   0.2752111800000000  0.0389261300000000  0.6349536099999999   0.7247888200000000  0.5389261300000000  0.8650463900000001   0.7247888200000000  0.9610738700000000  0.3650463900000000   0.2752111800000000  0.4610738700000000  0.1349536100000000   0.2549485400000000  0.9455574700000000  0.1757718300000000   0.7450514600000000  0.4455574700000000  0.3242281700000000   0.7450514600000000  0.0544425300000000  0.8242281700000000   0.2549485400000000  0.5544425300000000  0.6757718300000000   0.0329524300000000  0.5910657200000000  0.2321460800000000   0.9670475700000000  0.0910657200000000  0.2678539200000000   0.9670475700000000  0.4089342800000000  0.7678539200000000   0.0329524300000000  0.9089342800000000  0.7321460799999999   0.1862607700000000  0.2393467300000000  0.7642148100000000   0.8137392300000000  0.7393467300000001  0.7357851900000000   0.8137392300000000  0.7606532699999999  0.2357851900000000   0.1862607700000000  0.2606532700000000  0.2642148100000000   0.7281476200000000  0.2425900900000000  0.9575908800000000   0.2718523800000000  0.7425900900000000  0.5424091200000001   0.2718523800000000  0.7574099100000000  0.0424091200000000   0.7281476200000000  0.2574099100000000  0.4575908800000000vasp-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