# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/7bad1283-0944-4eab-adaa-7b106b997f4e/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 Dy3TaO7 / Cmcm (63) / materials id 755461](https://mdr.nims.go.jp/datasets/a2a7b0fb-fca9-48b0-9c2c-aba537070def)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     1     3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  24</c><c>Dy</c><c>    162.50000000</c><c>      9.00000000</c><c>  PAW_PBE Dy_3 06Sep2000                </c></rc>    <rc><c>   8</c><c>Ta</c><c>    180.94800000</c><c>     11.00000000</c><c>  PAW_PBE Ta_pv 07Sep2000               </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 Ta O   1.0    10.4910304399999994    0.0000000000000000    0.0000000000000000     0.0000000000000000    7.2405501799999996    0.0000000000000000     0.0000000000000000    0.0000000000000000    7.4267113199999999 Dy Ta O  12   4  28Direct   0.7718533300000000  0.2901858500000000  0.2500000000000000   0.7718533300000000  0.7098141499999999  0.7500000000000000   0.0000000000000000  0.0000000000000000  0.0000000000000000   0.0000000000000000  0.0000000000000000  0.5000000000000000   0.2281466700000000  0.2901858500000000  0.2500000000000000   0.2281466700000000  0.7098141499999999  0.7500000000000000   0.2718533300000000  0.7901858500000000  0.2500000000000000   0.2718533300000000  0.2098141500000000  0.7500000000000000   0.5000000000000000  0.5000000000000000  0.0000000000000000   0.5000000000000000  0.5000000000000000  0.5000000000000000   0.7281466700000000  0.7901858500000000  0.2500000000000000   0.7281466700000000  0.2098141500000000  0.7500000000000000   0.0000000000000000  0.5000000000000000  0.0000000000000000   0.0000000000000000  0.5000000000000000  0.5000000000000000   0.5000000000000000  0.0000000000000000  0.0000000000000000   0.5000000000000000  0.0000000000000000  0.5000000000000000   0.6319009099999999  0.5221139500000000  0.2500000000000000   0.6319009099999999  0.4778860500000000  0.7500000000000000   0.8701324400000000  0.6939172800000000  0.0373720300000000   0.8701324400000000  0.6939172800000000  0.4626279700000000   0.8701324400000000  0.3060827200000000  0.9626279700000000   0.8701324400000000  0.3060827200000000  0.5373720300000000   0.0000000000000000  0.5838023600000000  0.7500000000000000   0.0000000000000000  0.4161976400000000  0.2500000000000000   0.1298675600000000  0.6939172800000000  0.0373720300000000   0.1298675600000000  0.3060827200000000  0.5373720300000000   0.1298675600000000  0.6939172800000000  0.4626279700000000   0.1298675600000000  0.3060827200000000  0.9626279700000000   0.3680990900000000  0.4778860500000000  0.7500000000000000   0.3680990900000000  0.5221139500000000  0.2500000000000000   0.1319009100000000  0.0221139500000000  0.2500000000000000   0.1319009100000000  0.9778860500000000  0.7500000000000000   0.3701324400000000  0.1939172800000000  0.0373720300000000   0.3701324400000000  0.1939172800000000  0.4626279700000000   0.3701324400000000  0.8060827200000000  0.9626279700000000   0.3701324400000000  0.8060827200000000  0.5373720300000000   0.5000000000000000  0.0838023600000000  0.7500000000000000   0.5000000000000000  0.9161976400000000  0.2500000000000000   0.6298675600000000  0.1939172800000000  0.0373720300000000   0.6298675600000000  0.8060827200000000  0.5373720300000000   0.6298675600000000  0.1939172800000000  0.4626279700000000   0.6298675600000000  0.8060827200000000  0.9626279700000000   0.8680990900000000  0.9778860500000000  0.7500000000000000   0.8680990900000000  0.0221139500000000  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     3     3 0.000 0.000 0.000