# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/77e0c9c5-89ac-45b5-884b-8784666b5756/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 Sr2HoSbO6 / P2_1/c (14) / materials id 558039](https://mdr.nims.go.jp/datasets/b6002fd1-82be-4ce6-ae51-1fcc75e87612)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     4     3     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  16</c><c>Sr</c><c>     87.62000000</c><c>     10.00000000</c><c>  PAW_PBE Sr_sv 07Sep2000               </c></rc>    <rc><c>   8</c><c>Ho</c><c>    164.93000000</c><c>      9.00000000</c><c>  PAW_PBE Ho_3 06Sep2000                </c></rc>    <rc><c>   8</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/INCAR-nac      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.  LEPSILON = .TRUE.vasp-settings/POSCAR-unitcell Sr Ho Sb O   1.0     5.7865487699999996    0.0000000000000000    0.0017670700000000     0.0000000000000000    5.8437950299999999    0.0000000000000000    -5.7567052399999996    0.0000000000000000    8.2065685700000000 Sr Ho Sb O   4   2   2  12Direct   0.2588368300000000  0.5343065200000000  0.2503907700000000   0.7411631700000000  0.0343065200000000  0.2496092300000000   0.7411631700000000  0.4656934800000000  0.7496092300000000   0.2588368300000000  0.9656934800000000  0.7503907700000000   0.0000000000000000  0.5000000000000000  0.5000000000000000   0.0000000000000000  0.0000000000000000  0.0000000000000000   0.5000000000000000  0.0000000000000000  0.5000000000000000   0.5000000000000000  0.5000000000000000  0.0000000000000000   0.1860350300000000  0.9790322500000000  0.2631290500000000   0.8139649700000000  0.0209677500000000  0.7368709500000000   0.3427768400000000  0.7741347000000001  0.0421931500000000   0.7330984300000001  0.7976078100000000  0.4601105500000000   0.6572231600000000  0.2741347000000000  0.4578068500000000   0.1860350300000000  0.5209677500000001  0.7631290500000000   0.6572231600000000  0.2258653000000000  0.9578068500000000   0.7330984300000001  0.7023921900000001  0.9601105500000000   0.2669015700000000  0.2976078100000000  0.0398894500000000   0.8139649700000000  0.4790322500000000  0.2368709500000000   0.3427768400000000  0.7258652999999999  0.5421931500000000   0.2669015700000000  0.2023921900000000  0.5398894500000000vasp-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     3     2 0.000 0.000 0.000