# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/a3c2c72c-dfb0-4013-ba7e-94e5df4955fb/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 Dy2Sb2O7 / Imma (74) / materials id 769128](https://mdr.nims.go.jp/datasets/d17c3402-f79f-48cc-b333-5f6dea52ddee)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     3     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <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>Sb</c><c>    121.75000000</c><c>      5.00000000</c><c>  PAW_PBE Sb 06Sep2000                  </c></rc>    <rc><c>  56</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    10.5114751299999991    0.0000000000000000    0.0000000000000000     0.0000000000000000    7.6641648499999997    0.0000000000000000     0.0000000000000000    0.0000000000000000    7.2938686800000001 Dy Sb O   8   8  28Direct   0.2500000000000000  0.2500000000000000  0.7500000000000000   0.7500000000000000  0.2500000000000000  0.7500000000000000   0.5000000000000000  0.5000000000000000  0.5000000000000000   0.0000000000000000  0.5000000000000000  0.0000000000000000   0.7500000000000000  0.7500000000000000  0.2500000000000000   0.2500000000000000  0.7500000000000000  0.2500000000000000   0.0000000000000000  0.0000000000000000  0.0000000000000000   0.5000000000000000  0.0000000000000000  0.5000000000000000   0.5000000000000000  0.0000000000000000  0.0000000000000000   0.2500000000000000  0.2500000000000000  0.2500000000000000   0.5000000000000000  0.5000000000000000  0.0000000000000000   0.7500000000000000  0.2500000000000000  0.2500000000000000   0.0000000000000000  0.5000000000000000  0.5000000000000000   0.7500000000000000  0.7500000000000000  0.7500000000000000   0.0000000000000000  0.0000000000000000  0.5000000000000000   0.2500000000000000  0.7500000000000000  0.7500000000000000   0.8729295000000000  0.5006184700000000  0.2973695900000000   0.0000000000000000  0.2500000000000000  0.5191635700000000   0.6302340000000000  0.2500000000000000  0.5011509100000000   0.1302340000000000  0.2500000000000000  0.9988490900000000   0.6270705000000000  0.4993815300000000  0.7973695900000000   0.8729295000000000  0.4993815300000000  0.7026304100000000   0.8729295000000000  0.9993815300000000  0.2973695900000000   0.6270705000000000  0.0006184700000000  0.7973695900000000   0.8729295000000000  0.0006184700000000  0.7026304100000000   0.6270705000000000  0.5006184700000000  0.2026304100000000   0.8697660000000000  0.2500000000000000  0.9988490900000000   0.5000000000000000  0.2500000000000000  0.9808364300000000   0.3697660000000000  0.2500000000000000  0.5011509100000000   0.6270705000000000  0.9993815300000000  0.2026304100000000   0.3729295000000000  0.0006184700000000  0.7973695900000000   0.5000000000000000  0.7500000000000000  0.0191635700000000   0.1302340000000000  0.7500000000000000  0.0011509100000000   0.6302340000000000  0.7500000000000000  0.4988490900000000   0.1270705000000000  0.9993815300000000  0.2973695900000000   0.3729295000000000  0.9993815300000000  0.2026304100000000   0.3729295000000000  0.4993815300000000  0.7973695900000000   0.1270705000000000  0.5006184700000000  0.2973695900000000   0.3729295000000000  0.5006184700000000  0.2026304100000000   0.1270705000000000  0.0006184700000000  0.7026304100000000   0.3697660000000000  0.7500000000000000  0.4988490900000000   0.0000000000000000  0.7500000000000000  0.4808364300000000   0.8697660000000000  0.7500000000000000  0.0011509100000000   0.1270705000000000  0.4993815300000000  0.7026304100000000vasp-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     3     3 0.000 0.000 0.000