# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/0c677eec-f9ed-43a0-a17b-ed75d237acb3/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 DyZnPO / R-3m (166) / materials id 549728](https://mdr.nims.go.jp/datasets/37eb9793-2869-46ff-92d5-a590e1d5c674)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     3     3     1 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     6     6     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  24</c><c>O </c><c>     16.00000000</c><c>      6.00000000</c><c>  PAW_PBE O 08Apr2002                   </c></rc>    <rc><c>  24</c><c>Zn</c><c>     65.39000000</c><c>     12.00000000</c><c>  PAW_PBE Zn 06Sep2000                  </c></rc>    <rc><c>  24</c><c>P </c><c>     30.97400000</c><c>      5.00000000</c><c>  PAW_PBE P 06Sep2000                   </c></rc>    <rc><c>  24</c><c>Dy</c><c>    162.50000000</c><c>      9.00000000</c><c>  PAW_PBE Dy_3 06Sep2000                </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 O Zn P Dy   1.0     3.8466445500000002    0.0000000000000000    0.0000000000000000    -1.9233222800000001    3.3312919000000001    0.0000000000000000     0.0000000000000000    0.0000000000000000   29.9322231700000003 O Zn P Dy   6   6   6   6Direct   0.6666666700000000  0.3333333300000000  0.0280289600000000   0.0000000000000000  0.0000000000000000  0.3053043800000000   0.3333333300000000  0.6666666700000000  0.3613622900000000   0.6666666700000000  0.3333333300000000  0.6386377100000000   0.0000000000000000  0.0000000000000000  0.6946956200000001   0.3333333300000000  0.6666666700000000  0.9719710400000000   0.6666666700000000  0.3333333300000000  0.1374185500000000   0.0000000000000000  0.0000000000000000  0.1959147800000000   0.3333333300000000  0.6666666700000000  0.4707518900000000   0.6666666700000000  0.3333333300000000  0.5292481099999999   0.0000000000000000  0.0000000000000000  0.8040852199999999   0.3333333300000000  0.6666666700000000  0.8625814500000000   0.6666666700000000  0.3333333300000000  0.2217044200000000   0.0000000000000000  0.0000000000000000  0.1116289100000000   0.3333333300000000  0.6666666700000000  0.5550377600000000   0.6666666700000000  0.3333333300000000  0.4449622400000000   0.0000000000000000  0.0000000000000000  0.8883710900000000   0.3333333300000000  0.6666666700000000  0.7782955800000000   0.3333333300000000  0.6666666700000000  0.2867700500000000   0.3333333300000000  0.6666666700000000  0.0465632800000000   0.0000000000000000  0.0000000000000000  0.6201033800000000   0.0000000000000000  0.0000000000000000  0.3798966200000000   0.6666666700000000  0.3333333300000000  0.9534367200000000   0.6666666700000000  0.3333333300000000  0.7132299500000000vasp-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     6     1 0.000 0.000 0.000