# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/7a9f5be8-e30d-4716-8e7d-803932c265c6/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 Y3SbO7 / Cmcm (63) / materials id 981511](https://mdr.nims.go.jp/datasets/5e8db162-473c-4a94-9421-19a09fa83f3c)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     2     3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  24</c><c>Y </c><c>     88.90600000</c><c>     11.00000000</c><c>  PAW_PBE Y_sv 25May2007                </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>  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 Y Sb O   1.0     7.3857148900000000    0.0000000000000000    0.0000000000000000     0.0000000000000000   10.4549771000000007    0.0000000000000000     0.0000000000000000    0.0000000000000000    7.4453059499999998 Y Sb O  12   4  28Direct   0.5000000000000000  0.0000000000000000  0.0000000000000000   0.5000000000000000  0.0000000000000000  0.5000000000000000   0.7340938600000000  0.7341855600000000  0.7500000000000000   0.2659061400000000  0.2658144400000000  0.2500000000000000   0.2659061400000000  0.7341855600000000  0.7500000000000000   0.7340938600000000  0.2658144400000000  0.2500000000000000   0.0000000000000000  0.5000000000000000  0.0000000000000000   0.0000000000000000  0.5000000000000000  0.5000000000000000   0.2340938600000000  0.2341855600000000  0.7500000000000000   0.7659061400000000  0.7658144400000000  0.2500000000000000   0.7659061400000000  0.2341855600000000  0.7500000000000000   0.2340938600000000  0.7658144400000000  0.2500000000000000   0.0000000000000000  0.0000000000000000  0.0000000000000000   0.0000000000000000  0.0000000000000000  0.5000000000000000   0.5000000000000000  0.5000000000000000  0.0000000000000000   0.5000000000000000  0.5000000000000000  0.5000000000000000   0.5000000000000000  0.8629302400000000  0.7500000000000000   0.5000000000000000  0.1370697600000000  0.2500000000000000   0.5000000000000000  0.1298254100000000  0.7500000000000000   0.5000000000000000  0.8701745900000000  0.2500000000000000   0.5000000000000000  0.5710187700000000  0.7500000000000000   0.5000000000000000  0.4289812300000000  0.2500000000000000   0.1985531200000000  0.1250737700000000  0.0298658700000000   0.8014468800000000  0.8749262300000000  0.5298658700000001   0.8014468800000000  0.1250737700000000  0.4701341300000000   0.1985531200000000  0.8749262300000000  0.9701341300000000   0.8014468800000000  0.8749262300000000  0.9701341300000000   0.1985531200000000  0.1250737700000000  0.4701341300000000   0.1985531200000000  0.8749262300000000  0.5298658700000001   0.8014468800000000  0.1250737700000000  0.0298658700000000   0.0000000000000000  0.3629302400000000  0.7500000000000000   0.0000000000000000  0.6370697599999999  0.2500000000000000   0.0000000000000000  0.6298254100000000  0.7500000000000000   0.0000000000000000  0.3701745900000000  0.2500000000000000   0.0000000000000000  0.0710187700000000  0.7500000000000000   0.0000000000000000  0.9289812300000000  0.2500000000000000   0.6985531200000000  0.6250737700000000  0.0298658700000000   0.3014468800000000  0.3749262300000000  0.5298658700000001   0.3014468800000000  0.6250737700000000  0.4701341300000000   0.6985531200000000  0.3749262300000000  0.9701341300000000   0.3014468800000000  0.3749262300000000  0.9701341300000000   0.6985531200000000  0.6250737700000000  0.4701341300000000   0.6985531200000000  0.3749262300000000  0.5298658700000001   0.3014468800000000  0.6250737700000000  0.0298658700000000vasp-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     3     2     3 0.000 0.000 0.000