# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/112afdd0-e067-4526-944b-d040ff431d36/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 Li8SnO6 / R-3 (148) / materials id 4527](https://mdr.nims.go.jp/datasets/f90e7507-75f3-4862-81ae-9ee6a9065658)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     4     4     1 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>  18</c><c>O </c><c>     16.00000000</c><c>      6.00000000</c><c>  PAW_PBE O 08Apr2002                   </c></rc>    <rc><c>   3</c><c>Sn</c><c>    118.71000000</c><c>     14.00000000</c><c>  PAW_PBE Sn_d 06Sep2000                </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 O Sn   1.0     5.4493714100000004    0.0000000000000000    0.0000000000000000    -2.7246857000000002    4.7192940900000000    0.0000000000000000     0.0000000000000000    0.0000000000000000   15.2548451299999996 Li O Sn  24  18   3Direct   0.2918405900000000  0.3134161200000000  0.2129664600000000   0.0215755200000000  0.7081594099999999  0.2129664600000000   0.6865838799999999  0.9784244800000000  0.2129664600000000   0.3748260800000000  0.0199172200000000  0.1203668800000000   0.6450911400000000  0.6251739199999999  0.1203668800000000   0.9800827800000000  0.3549088600000000  0.1203668800000000   0.3333333300000000  0.6666666700000000  0.3218120800000000   0.3333333300000000  0.6666666700000000  0.0115212500000000   0.9585072600000000  0.6467494499999999  0.5462997900000000   0.6882421900000000  0.0414927400000000  0.5462997900000000   0.3532505500000000  0.3117578100000000  0.5462997900000000   0.0414927400000000  0.3532505500000000  0.4537002100000000   0.3117578100000000  0.9585072600000000  0.4537002100000000   0.6467494499999999  0.6882421900000000  0.4537002100000000   0.0000000000000000  0.0000000000000000  0.6551454200000000   0.0000000000000000  0.0000000000000000  0.3448545800000000   0.6251739199999999  0.9800827800000000  0.8796331200000000   0.3549088600000000  0.3748260800000000  0.8796331200000000   0.0199172200000000  0.6450911400000000  0.8796331200000000   0.7081594099999999  0.6865838799999999  0.7870335400000000   0.9784244800000000  0.2918405900000000  0.7870335400000000   0.3134161200000000  0.0215755200000000  0.7870335400000000   0.6666666700000000  0.3333333300000000  0.9884787500000000   0.6666666700000000  0.3333333300000000  0.6781879200000001   0.6827334600000000  0.9870410700000000  0.0812464500000000   0.3623590600000000  0.0160667900000000  0.2520868800000000   0.6537077400000000  0.6376409400000000  0.2520868800000000   0.9839332100000000  0.3462922600000000  0.2520868800000000   0.3043076100000000  0.3172665400000000  0.0812464500000000   0.0129589300000000  0.6956923900000000  0.0812464500000000   0.3494001300000000  0.3203744000000000  0.4145797900000000   0.0290257200000000  0.3494001300000000  0.5854202100000000   0.3203744000000000  0.9709742800000000  0.5854202100000000   0.6505998700000000  0.6796256000000001  0.5854202100000000   0.9709742800000000  0.6505998700000000  0.4145797900000000   0.6796256000000001  0.0290257200000000  0.4145797900000000   0.0160667900000000  0.6537077400000000  0.7479131200000000   0.6956923900000000  0.6827334600000000  0.9187535500000000   0.9870410700000000  0.3043076100000000  0.9187535500000000   0.3172665400000000  0.0129589300000000  0.9187535500000000   0.6376409400000000  0.9839332100000000  0.7479131200000000   0.3462922600000000  0.3623590600000000  0.7479131200000000   0.0000000000000000  0.0000000000000000  0.0000000000000000   0.6666666700000000  0.3333333300000000  0.3333333300000000   0.3333333300000000  0.6666666700000000  0.6666666700000000vasp-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     4     4     1 0.000 0.000 0.000