# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/863c4987-23b4-4a81-bec7-8aa4caea115d/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 Dy3Ga5O12 / Ia-3d (230) / materials id 15576](https://mdr.nims.go.jp/datasets/151f7e5f-c135-4bf5-868a-6ac60e854b31)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  96</c><c>O </c><c>     16.00000000</c><c>      6.00000000</c><c>  PAW_PBE O 08Apr2002                   </c></rc>    <rc><c>  40</c><c>Ga</c><c>     69.72300000</c><c>     13.00000000</c><c>  PAW_PBE Ga_d 06Jul2010                </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/POSCAR-unitcell O Ga Dy   1.0    12.2529739200000005    0.0000000000000000    0.0000000000000000     0.0000000000000000   12.2529739200000005    0.0000000000000000     0.0000000000000000    0.0000000000000000   12.2529739200000005 O Ga Dy  96  40  24Direct   0.1933859300000000  0.7770733700000000  0.9001719800000000   0.7770733700000000  0.9001719800000000  0.1933859300000000   0.9001719800000000  0.8066140700000000  0.7229266300000000   0.8066140700000000  0.2770733700000000  0.5998280200000000   0.6501719800000000  0.9729266300000000  0.4433859300000000   0.2229266300000000  0.5998280200000000  0.1933859300000000   0.6501719800000000  0.0270733700000000  0.0566140700000000   0.4001719800000000  0.6933859300000000  0.2770733700000000   0.8498280200000000  0.0270733700000000  0.9433859300000000   0.5270733700000000  0.5566140700000000  0.1501719800000000   0.9433859300000000  0.1501719800000000  0.4729266300000000   0.5566140700000000  0.8498280200000000  0.9729266300000000   0.4729266300000000  0.0566140700000000  0.3498280200000000   0.0566140700000000  0.6501719800000000  0.0270733700000000   0.0270733700000000  0.9433859300000000  0.8498280200000000   0.9433859300000000  0.8498280200000000  0.0270733700000000   0.4729266300000000  0.9433859300000000  0.1501719800000000   0.8066140700000000  0.7229266300000000  0.9001719800000000   0.6933859300000000  0.7229266300000000  0.0998280200000000   0.6501719800000000  0.4729266300000000  0.5566140700000000   0.7770733700000000  0.0998280200000000  0.3066140700000000   0.5998280200000000  0.8066140700000000  0.2770733700000000   0.5998280200000000  0.1933859300000000  0.2229266300000000   0.3498280200000000  0.4729266300000000  0.0566140700000000   0.3066140700000000  0.7229266300000000  0.5998280200000000   0.7229266300000000  0.5998280200000000  0.3066140700000000   0.5998280200000000  0.6933859300000000  0.7770733700000000   0.6933859300000000  0.2229266300000000  0.9001719800000000   0.8498280200000000  0.5270733700000000  0.0566140700000000   0.2770733700000000  0.9001719800000000  0.3066140700000000   0.8498280200000000  0.4729266300000000  0.4433859300000000   0.0998280200000000  0.8066140700000000  0.2229266300000000   0.1501719800000000  0.0270733700000000  0.4433859300000000   0.9001719800000000  0.3066140700000000  0.2770733700000000   0.9001719800000000  0.6933859300000000  0.2229266300000000   0.7770733700000000  0.5998280200000000  0.6933859300000000   0.7229266300000000  0.4001719800000000  0.1933859300000000   0.8066140700000000  0.7770733700000000  0.4001719800000000   0.6933859300000000  0.7770733700000000  0.5998280200000000   0.0270733700000000  0.5566140700000000  0.3498280200000000   0.5566140700000000  0.6501719800000000  0.4729266300000000   0.4729266300000000  0.5566140700000000  0.6501719800000000   0.4433859300000000  0.8498280200000000  0.4729266300000000   0.0270733700000000  0.4433859300000000  0.1501719800000000   0.9433859300000000  0.6501719800000000  0.5270733700000000   0.5566140700000000  0.3498280200000000  0.0270733700000000   0.9729266300000000  0.9433859300000000  0.3498280200000000   0.7229266300000000  0.9001719800000000  0.8066140700000000   0.6933859300000000  0.2770733700000000  0.4001719800000000   0.2770733700000000  0.4001719800000000  0.6933859300000000   0.4001719800000000  0.3066140700000000  0.2229266300000000   0.3066140700000000  0.7770733700000000  0.0998280200000000   0.1501719800000000  0.4729266300000000  0.9433859300000000   0.7229266300000000  0.0998280200000000  0.6933859300000000   0.1501719800000000  0.5270733700000000  0.5566140700000000   0.9001719800000000  0.1933859300000000  0.7770733700000000   0.3498280200000000  0.5270733700000000  0.4433859300000000   0.0270733700000000  0.0566140700000000  0.6501719800000000   0.4433859300000000  0.6501719800000000  0.9729266300000000   0.0566140700000000  0.3498280200000000  0.4729266300000000   0.9729266300000000  0.5566140700000000  0.8498280200000000   0.5566140700000000  0.1501719800000000  0.5270733700000000   0.5270733700000000  0.4433859300000000  0.3498280200000000   0.4433859300000000  0.3498280200000000  0.5270733700000000   0.9729266300000000  0.4433859300000000  0.6501719800000000   0.3066140700000000  0.2229266300000000  0.4001719800000000   0.1933859300000000  0.2229266300000000  0.5998280200000000   0.1501719800000000  0.9729266300000000  0.0566140700000000   0.2770733700000000  0.5998280200000000  0.8066140700000000   0.0998280200000000  0.3066140700000000  0.7770733700000000   0.0998280200000000  0.6933859300000000  0.7229266300000000   0.8498280200000000  0.9729266300000000  0.5566140700000000   0.8066140700000000  0.2229266300000000  0.0998280200000000   0.2229266300000000  0.0998280200000000  0.8066140700000000   0.0998280200000000  0.1933859300000000  0.2770733700000000   0.1933859300000000  0.7229266300000000  0.4001719800000000   0.3498280200000000  0.0270733700000000  0.5566140700000000   0.7770733700000000  0.4001719800000000  0.8066140700000000   0.3498280200000000  0.9729266300000000  0.9433859300000000   0.5998280200000000  0.3066140700000000  0.7229266300000000   0.6501719800000000  0.5270733700000000  0.9433859300000000   0.4001719800000000  0.8066140700000000  0.7770733700000000   0.4001719800000000  0.1933859300000000  0.7229266300000000   0.2770733700000000  0.0998280200000000  0.1933859300000000   0.2229266300000000  0.9001719800000000  0.6933859300000000   0.3066140700000000  0.2770733700000000  0.9001719800000000   0.1933859300000000  0.2770733700000000  0.0998280200000000   0.5270733700000000  0.0566140700000000  0.8498280200000000   0.0566140700000000  0.1501719800000000  0.9729266300000000   0.9729266300000000  0.0566140700000000  0.1501719800000000   0.9433859300000000  0.3498280200000000  0.9729266300000000   0.5270733700000000  0.9433859300000000  0.6501719800000000   0.4433859300000000  0.1501719800000000  0.0270733700000000   0.0566140700000000  0.8498280200000000  0.5270733700000000   0.4729266300000000  0.4433859300000000  0.8498280200000000   0.2229266300000000  0.4001719800000000  0.3066140700000000   0.6250000000000000  0.5000000000000000  0.2500000000000000   0.8750000000000000  0.0000000000000000  0.2500000000000000   0.7500000000000000  0.1250000000000000  0.0000000000000000   0.0000000000000000  0.2500000000000000  0.3750000000000000   0.7500000000000000  0.8750000000000000  0.5000000000000000   0.0000000000000000  0.7500000000000000  0.1250000000000000   0.5000000000000000  0.7500000000000000  0.3750000000000000   0.5000000000000000  0.2500000000000000  0.1250000000000000   0.7500000000000000  0.6250000000000000  0.0000000000000000   0.7500000000000000  0.3750000000000000  0.5000000000000000   0.1250000000000000  0.5000000000000000  0.2500000000000000   0.3750000000000000  0.0000000000000000  0.2500000000000000   0.2500000000000000  0.7500000000000000  0.2500000000000000   0.5000000000000000  0.0000000000000000  0.5000000000000000   0.5000000000000000  0.5000000000000000  0.5000000000000000   0.5000000000000000  0.0000000000000000  0.0000000000000000   0.7500000000000000  0.7500000000000000  0.7500000000000000   0.7500000000000000  0.7500000000000000  0.2500000000000000   0.7500000000000000  0.2500000000000000  0.2500000000000000   0.5000000000000000  0.5000000000000000  0.0000000000000000   0.1250000000000000  0.0000000000000000  0.7500000000000000   0.3750000000000000  0.5000000000000000  0.7500000000000000   0.2500000000000000  0.6250000000000000  0.5000000000000000   0.5000000000000000  0.7500000000000000  0.8750000000000000   0.2500000000000000  0.3750000000000000  0.0000000000000000   0.5000000000000000  0.2500000000000000  0.6250000000000000   0.0000000000000000  0.2500000000000000  0.8750000000000000   0.0000000000000000  0.7500000000000000  0.6250000000000000   0.2500000000000000  0.1250000000000000  0.5000000000000000   0.2500000000000000  0.8750000000000000  0.0000000000000000   0.6250000000000000  0.0000000000000000  0.7500000000000000   0.8750000000000000  0.5000000000000000  0.7500000000000000   0.7500000000000000  0.2500000000000000  0.7500000000000000   0.0000000000000000  0.5000000000000000  0.0000000000000000   0.0000000000000000  0.0000000000000000  0.0000000000000000   0.0000000000000000  0.5000000000000000  0.5000000000000000   0.2500000000000000  0.2500000000000000  0.2500000000000000   0.2500000000000000  0.2500000000000000  0.7500000000000000   0.2500000000000000  0.7500000000000000  0.7500000000000000   0.0000000000000000  0.0000000000000000  0.5000000000000000   0.0000000000000000  0.7500000000000000  0.8750000000000000   0.5000000000000000  0.7500000000000000  0.1250000000000000   0.2500000000000000  0.6250000000000000  0.0000000000000000   0.7500000000000000  0.8750000000000000  0.0000000000000000   0.6250000000000000  0.0000000000000000  0.2500000000000000   0.8750000000000000  0.0000000000000000  0.7500000000000000   0.5000000000000000  0.7500000000000000  0.6250000000000000   0.0000000000000000  0.7500000000000000  0.3750000000000000   0.2500000000000000  0.8750000000000000  0.5000000000000000   0.7500000000000000  0.6250000000000000  0.5000000000000000   0.8750000000000000  0.5000000000000000  0.2500000000000000   0.6250000000000000  0.5000000000000000  0.7500000000000000   0.5000000000000000  0.2500000000000000  0.3750000000000000   0.0000000000000000  0.2500000000000000  0.6250000000000000   0.7500000000000000  0.1250000000000000  0.5000000000000000   0.2500000000000000  0.3750000000000000  0.5000000000000000   0.1250000000000000  0.5000000000000000  0.7500000000000000   0.3750000000000000  0.5000000000000000  0.2500000000000000   0.0000000000000000  0.2500000000000000  0.1250000000000000   0.5000000000000000  0.2500000000000000  0.8750000000000000   0.7500000000000000  0.3750000000000000  0.0000000000000000   0.2500000000000000  0.1250000000000000  0.0000000000000000   0.3750000000000000  0.0000000000000000  0.7500000000000000   0.1250000000000000  0.0000000000000000  0.2500000000000000vasp-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     2     2     2 0.000 0.000 0.000