# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/5b8fd6d2-51b0-4797-b276-b3580a5eb11b/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 Dy2TeO6 / P2_12_12_1 (19) / materials id 768313](https://mdr.nims.go.jp/datasets/aeac5651-74aa-42b6-ba38-b75c8228ee06)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     1     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  32</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>Te</c><c>    127.60000000</c><c>      6.00000000</c><c>  PAW_PBE Te 08Apr2002                  </c></rc>    <rc><c>  96</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 Te O   1.0     5.2519143000000001    0.0000000000000000    0.0000000000000000     0.0000000000000000    9.0345735600000001    0.0000000000000000     0.0000000000000000    0.0000000000000000    9.8928015600000005 Dy Te O   8   4  24Direct   0.0214752100000000  0.3967237000000000  0.0365965500000000   0.0396045300000000  0.2824717500000000  0.6333571700000000   0.4603954700000000  0.7175282500000000  0.1333571700000000   0.4785247900000000  0.6032763000000000  0.5365965499999998   0.5214752100000000  0.1032763000000000  0.9634034500000001   0.5396045300000001  0.2175282500000000  0.3666428300000000   0.9603954700000000  0.7824717500000000  0.8666428300000000   0.9785247900000000  0.8967237000000000  0.4634034500000000   0.0401165200000000  0.0052525800000000  0.1487636200000000   0.4598834800000000  0.9947474200000000  0.6487636200000000   0.5401165200000000  0.4947474200000000  0.8512363800000000   0.9598834800000000  0.5052525800000001  0.3512363800000000   0.0826501000000000  0.6554288800000000  0.4733483400000000   0.1691606800000000  0.5518900000000000  0.1997283100000000   0.1874194600000000  0.8578719600000000  0.2637644200000000   0.1779125900000000  0.8588115600000000  0.6790944500000000   0.2330512100000000  0.3862240500000000  0.4319297200000000   0.2532861500000000  0.0877151100000000  0.5058831200000000   0.2467138500000000  0.9122848900000000  0.0058831200000000   0.2669487900000000  0.6137759500000000  0.9319297200000000   0.3220874100000000  0.1411884400000000  0.1790944500000000   0.3125805400000000  0.1421280400000000  0.7637644200000000   0.3308393200000000  0.4481100000000000  0.6997283100000000   0.4173499000000000  0.3445711200000000  0.9733483400000000   0.5826500999999999  0.8445711200000000  0.5266516600000000   0.6691606800000001  0.9481100000000000  0.8002716900000000   0.6874194600000000  0.6421280400000000  0.7362355800000000   0.6779125900000000  0.6411884400000001  0.3209055500000000   0.7330512100000000  0.1137759500000000  0.5680702799999999   0.7532861500000000  0.4122848900000000  0.4941168800000000   0.7467138500000000  0.5877151100000000  0.9941168800000000   0.7669487900000000  0.8862240500000000  0.0680702800000000   0.8220874100000000  0.3588115600000000  0.8209055500000000   0.8125805400000000  0.3578719600000000  0.2362355800000000   0.8308393199999999  0.0518900000000000  0.3002716900000000   0.9173499000000001  0.1554288800000000  0.0266516600000000vasp-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     4     2     2 0.000 0.000 0.000