# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/c270b9b6-b2dd-4967-abca-a8a0791e0e94/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 Dy3Sb5O12 / I-43m (217) / materials id 768638](https://mdr.nims.go.jp/datasets/21f69285-b98d-48f4-9b6e-4a2bff554e25)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  12</c><c>Dy</c><c>    162.50000000</c><c>      9.00000000</c><c>  PAW_PBE Dy_3 06Sep2000                </c></rc>    <rc><c>  20</c><c>Sb</c><c>    121.75000000</c><c>      5.00000000</c><c>  PAW_PBE Sb 06Sep2000                  </c></rc>    <rc><c>  48</c><c>O </c><c>     16.00000000</c><c>      6.00000000</c><c>  PAW_PBE O 08Apr2002                   </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 Dy Sb O   1.0    10.6993697000000001    0.0000000000000000    0.0000000000000000     0.0000000000000000   10.6993697000000001    0.0000000000000000     0.0000000000000000    0.0000000000000000   10.6993697000000001 Dy Sb O  12  20  48Direct   0.0000000000000000  0.5000000000000000  0.2500000000000000   0.0000000000000000  0.2500000000000000  0.5000000000000000   0.2500000000000000  0.5000000000000000  0.0000000000000000   0.2500000000000000  0.0000000000000000  0.5000000000000000   0.5000000000000000  0.0000000000000000  0.2500000000000000   0.5000000000000000  0.2500000000000000  0.0000000000000000   0.5000000000000000  0.0000000000000000  0.7500000000000000   0.5000000000000000  0.7500000000000000  0.0000000000000000   0.7500000000000000  0.0000000000000000  0.5000000000000000   0.7500000000000000  0.5000000000000000  0.0000000000000000   0.0000000000000000  0.5000000000000000  0.7500000000000000   0.0000000000000000  0.7500000000000000  0.5000000000000000   0.7404567500000000  0.2595432500000000  0.2595432500000000   0.0000000000000000  0.2792522700000000  0.0000000000000000   0.0000000000000000  0.0000000000000000  0.2792522700000000   0.0000000000000000  0.7207477300000000  0.0000000000000000   0.0000000000000000  0.0000000000000000  0.7207477300000000   0.2595432500000000  0.7404567500000000  0.2595432500000000   0.2595432500000000  0.2595432500000000  0.7404567500000000   0.2404567500000000  0.2404567500000000  0.2404567500000000   0.2792522700000000  0.0000000000000000  0.0000000000000000   0.7207477300000000  0.0000000000000000  0.0000000000000000   0.2404567500000000  0.7595432500000000  0.7595432500000000   0.5000000000000000  0.7792522700000000  0.5000000000000000   0.5000000000000000  0.5000000000000000  0.7792522700000000   0.5000000000000000  0.2207477300000000  0.5000000000000000   0.5000000000000000  0.5000000000000000  0.2207477300000000   0.7595432500000000  0.2404567500000000  0.7595432500000000   0.7595432500000000  0.7595432500000000  0.2404567500000000   0.7404567500000000  0.7404567500000000  0.7404567500000000   0.7792522700000000  0.5000000000000000  0.5000000000000000   0.2207477300000000  0.5000000000000000  0.5000000000000000   0.8615206100000000  0.3407732800000000  0.1384793900000000   0.8615206100000000  0.1384793900000000  0.3407732800000000   0.8978070499999999  0.1021929500000000  0.6055043000000000   0.8978070499999999  0.6055043000000000  0.1021929500000000   0.8944957000000000  0.3978070500000000  0.3978070500000000   0.1021929500000000  0.1021929500000000  0.3944957000000000   0.1021929500000000  0.3944957000000000  0.1021929500000000   0.1021929500000000  0.8978070499999999  0.6055043000000000   0.1021929500000000  0.6055043000000000  0.8978070499999999   0.1592267200000000  0.3615206100000000  0.3615206100000000   0.1384793900000000  0.6592267199999999  0.1384793900000000   0.1384793900000000  0.1384793900000000  0.6592267199999999   0.1384793900000000  0.8615206100000000  0.3407732800000000   0.1384793900000000  0.3407732800000000  0.8615206100000000   0.3615206100000000  0.1592267200000000  0.3615206100000000   0.3615206100000000  0.3615206100000000  0.1592267200000000   0.3407732800000000  0.8615206100000000  0.1384793900000000   0.3407732800000000  0.1384793900000000  0.8615206100000000   0.3978070500000000  0.8944957000000000  0.3978070500000000   0.3978070500000000  0.3978070500000000  0.8944957000000000   0.3944957000000000  0.1021929500000000  0.1021929500000000   0.6055043000000000  0.8978070499999999  0.1021929500000000   0.6055043000000000  0.1021929500000000  0.8978070499999999   0.6592267199999999  0.1384793900000000  0.1384793900000000   0.3615206100000000  0.8407732800000001  0.6384793900000000   0.3615206100000000  0.6384793900000000  0.8407732800000001   0.3978070500000000  0.6021929500000001  0.1055043000000000   0.3978070500000000  0.1055043000000000  0.6021929500000001   0.3944957000000000  0.8978070499999999  0.8978070499999999   0.6021929500000001  0.6021929500000001  0.8944957000000000   0.6021929500000001  0.8944957000000000  0.6021929500000001   0.6021929500000001  0.3978070500000000  0.1055043000000000   0.6021929500000001  0.1055043000000000  0.3978070500000000   0.6592267199999999  0.8615206100000000  0.8615206100000000   0.6384793900000000  0.1592267200000000  0.6384793900000000   0.6384793900000000  0.6384793900000000  0.1592267200000000   0.6384793900000000  0.3615206100000000  0.8407732800000001   0.6384793900000000  0.8407732800000001  0.3615206100000000   0.8615206100000000  0.6592267199999999  0.8615206100000000   0.8615206100000000  0.8615206100000000  0.6592267199999999   0.8407732800000001  0.3615206100000000  0.6384793900000000   0.8407732800000001  0.6384793900000000  0.3615206100000000   0.8978070499999999  0.3944957000000000  0.8978070499999999   0.8978070499999999  0.8978070499999999  0.3944957000000000   0.8944957000000000  0.6021929500000001  0.6021929500000001   0.1055043000000000  0.3978070500000000  0.6021929500000001   0.1055043000000000  0.6021929500000001  0.3978070500000000   0.1592267200000000  0.6384793900000000  0.6384793900000000vasp-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