# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/4f9d2f7e-69af-4adb-b3dc-6946f904511b/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 Dy2Te4O11 / C2/c (15) / materials id 510342](https://mdr.nims.go.jp/datasets/f2c1c06a-d3a9-4111-ba47-371d021fe8f2)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     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>  32</c><c>Te</c><c>    127.60000000</c><c>      6.00000000</c><c>  PAW_PBE Te 08Apr2002                  </c></rc>    <rc><c>  88</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    12.2658402199999994    0.0000000000000000   -0.0976995700000000     0.0000000000000000    5.0868941999999997    0.0000000000000000    -4.3462461000000001    0.0000000000000000   15.3441385300000004 Dy Te O   8  16  44Direct   0.1189558800000000  0.2524677300000000  0.0367306300000000   0.3810441200000000  0.7524677300000000  0.4632693700000000   0.8810441200000000  0.7475322700000000  0.9632693700000000   0.6189558800000000  0.2475322700000000  0.5367306300000000   0.6189558800000000  0.7524677300000000  0.0367306300000000   0.8810441200000000  0.2524677300000000  0.4632693700000000   0.3810441200000000  0.2475322700000000  0.9632693700000000   0.1189558800000000  0.7475322700000000  0.5367306300000000   0.6239427600000000  0.7843107300000001  0.3713469200000000   0.3760572400000000  0.7843107300000001  0.1286530800000000   0.3760572400000000  0.2156892700000000  0.6286530800000000   0.6239427600000000  0.2156892700000000  0.8713469200000000   0.1253312400000000  0.7221553100000000  0.2016404900000000   0.3746687600000000  0.2221553100000000  0.2983595100000000   0.8746687600000000  0.2778446900000000  0.7983595100000000   0.6253312400000000  0.7778446900000000  0.7016404900000000   0.1239427600000000  0.2843107300000000  0.3713469200000000   0.8760572400000000  0.2843107300000000  0.1286530800000000   0.8760572400000000  0.7156892699999999  0.6286530800000000   0.1239427600000000  0.7156892699999999  0.8713469200000000   0.6253312400000000  0.2221553100000000  0.2016404900000000   0.8746687600000000  0.7221553100000000  0.2983595100000000   0.3746687600000000  0.7778446900000000  0.7983595100000000   0.1253312400000000  0.2778446900000000  0.7016404900000000   0.2518986600000000  0.0630062200000000  0.3702098600000000   0.2481013400000000  0.5630062200000000  0.1297901400000000   0.7481013400000001  0.9369937800000000  0.6297901400000000   0.7518986599999999  0.4369937800000000  0.8702098600000000   0.7082960000000000  0.0454280500000000  0.4468426200000000   0.2917040000000000  0.0454280500000000  0.0531573800000000   0.2917040000000000  0.9545719500000001  0.5531573800000000   0.7082960000000000  0.9545719500000001  0.9468426200000000   0.5676288400000000  0.6079604400000000  0.4544928800000000   0.4323711600000000  0.6079604400000000  0.0455071200000000   0.4323711600000000  0.3920395600000000  0.5455071200000000   0.5676288400000000  0.3920395600000000  0.9544928800000000   0.4764334600000000  0.0787154600000000  0.4033618500000000   0.5235665400000000  0.0787154600000000  0.0966381500000000   0.5235665400000000  0.9212845400000000  0.5966381500000000   0.4764334600000000  0.9212845400000000  0.9033618500000000   0.3474188300000000  0.5629940500000000  0.3300486100000000   0.1525811700000000  0.0629940500000000  0.1699513900000000   0.6525811699999999  0.4370059500000000  0.6699513900000000   0.8474188300000001  0.9370059500000000  0.8300486100000000   0.5000000000000000  0.3645289900000000  0.2500000000000000   0.5000000000000000  0.6354710100000001  0.7500000000000000   0.7518986599999999  0.5630062200000000  0.3702098600000000   0.7481013400000001  0.0630062200000000  0.1297901400000000   0.2481013400000000  0.4369937800000000  0.6297901400000000   0.2518986600000000  0.9369937800000000  0.8702098600000000   0.2082960000000000  0.5454280500000002  0.4468426200000000   0.7917040000000000  0.5454280500000002  0.0531573800000000   0.7917040000000000  0.4545719500000000  0.5531573800000000   0.2082960000000000  0.4545719500000000  0.9468426200000000   0.0676288400000000  0.1079604400000000  0.4544928800000000   0.9323711600000000  0.1079604400000000  0.0455071200000000   0.9323711600000000  0.8920395600000000  0.5455071200000000   0.0676288400000000  0.8920395600000000  0.9544928800000000   0.9764334600000000  0.5787154600000000  0.4033618500000000   0.0235665400000000  0.5787154600000000  0.0966381500000000   0.0235665400000000  0.4212845400000000  0.5966381500000000   0.9764334600000000  0.4212845400000000  0.9033618500000000   0.8474188300000001  0.0629940500000000  0.3300486100000000   0.6525811699999999  0.5629940500000000  0.1699513900000000   0.1525811700000000  0.9370059500000000  0.6699513900000000   0.3474188300000000  0.4370059500000000  0.8300486100000000   0.0000000000000000  0.8645289899999999  0.2500000000000000   0.0000000000000000  0.1354710100000000  0.7500000000000000vasp-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     4     1 0.000 0.000 0.000