# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/c15de066-58b5-4478-bd82-64236aad7aa5/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 Li3SbO3 / I-43m (217) / materials id 756935](https://mdr.nims.go.jp/datasets/95d8ba49-7819-4877-9234-57f10f28d092)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  24</c><c>Li</c><c>      7.01000000</c><c>      3.00000000</c><c>  PAW_PBE Li_sv 10Sep2004               </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>  24</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 = 648.744200     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 Li Sb O   1.0     8.5508639199999994    0.0000000000000000    0.0000000000000000     0.0000000000000000    8.5508639199999994    0.0000000000000000     0.0000000000000000    0.0000000000000000    8.5508639199999994 Li Sb O  24   8  24Direct   0.8776137900000001  0.1223862100000000  0.4106314300000000   0.8776137900000001  0.4106314300000000  0.1223862100000000   0.0893685700000000  0.3776137900000000  0.3776137900000000   0.1223862100000000  0.4106314300000000  0.8776137900000001   0.1223862100000000  0.8776137900000001  0.4106314300000000   0.1223862100000000  0.5893685700000000  0.1223862100000000   0.1223862100000000  0.1223862100000000  0.5893685700000000   0.3776137900000000  0.0893685700000000  0.3776137900000000   0.3776137900000000  0.3776137900000000  0.0893685700000000   0.4106314300000000  0.8776137900000001  0.1223862100000000   0.4106314300000000  0.1223862100000000  0.8776137900000001   0.5893685700000000  0.1223862100000000  0.1223862100000000   0.3776137900000000  0.6223862099999999  0.9106314300000000   0.3776137900000000  0.9106314300000000  0.6223862099999999   0.5893685700000000  0.8776137900000001  0.8776137900000001   0.6223862099999999  0.9106314300000000  0.3776137900000000   0.6223862099999999  0.3776137900000000  0.9106314300000000   0.6223862099999999  0.0893685700000000  0.6223862099999999   0.6223862099999999  0.6223862099999999  0.0893685700000000   0.8776137900000001  0.5893685700000000  0.8776137900000001   0.8776137900000001  0.8776137900000001  0.5893685700000000   0.9106314300000000  0.3776137900000000  0.6223862099999999   0.9106314300000000  0.6223862099999999  0.3776137900000000   0.0893685700000000  0.6223862099999999  0.6223862099999999   0.6387900500000000  0.3612099500000000  0.3612099500000000   0.1387900500000000  0.1387900500000000  0.1387900500000000   0.3612099500000000  0.6387900500000000  0.3612099500000000   0.3612099500000000  0.3612099500000000  0.6387900500000000   0.1387900500000000  0.8612099500000000  0.8612099500000000   0.6387900500000000  0.6387900500000000  0.6387900500000000   0.8612099500000000  0.1387900500000000  0.8612099500000000   0.8612099500000000  0.8612099500000000  0.1387900500000000   0.8669827800000001  0.3722658200000000  0.3722658200000000   0.8722658200000000  0.1277341800000000  0.6330172199999999   0.8722658200000000  0.6330172199999999  0.1277341800000000   0.1277341800000000  0.1277341800000000  0.3669827800000000   0.1277341800000000  0.8722658200000000  0.6330172199999999   0.1277341800000000  0.3669827800000000  0.1277341800000000   0.1277341800000000  0.6330172199999999  0.8722658200000000   0.3669827800000000  0.1277341800000000  0.1277341800000000   0.3722658200000000  0.3722658200000000  0.8669827800000001   0.3722658200000000  0.8669827800000001  0.3722658200000000   0.6330172199999999  0.1277341800000000  0.8722658200000000   0.6330172199999999  0.8722658200000000  0.1277341800000000   0.3669827800000000  0.8722658200000000  0.8722658200000000   0.3722658200000000  0.6277341800000000  0.1330172200000000   0.3722658200000000  0.1330172200000000  0.6277341800000000   0.6277341800000000  0.6277341800000000  0.8669827800000001   0.6277341800000000  0.3722658200000000  0.1330172200000000   0.6277341800000000  0.8669827800000001  0.6277341800000000   0.6277341800000000  0.1330172200000000  0.3722658200000000   0.8669827800000001  0.6277341800000000  0.6277341800000000   0.8722658200000000  0.8722658200000000  0.3669827800000000   0.8722658200000000  0.3669827800000000  0.8722658200000000   0.1330172200000000  0.6277341800000000  0.3722658200000000   0.1330172200000000  0.3722658200000000  0.6277341800000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 648.744200     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     2     2 0.000 0.000 0.000