# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/7281a8d9-46b7-4e2b-92d1-966f7e230258/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 Na4Sn3O8 / P4_132 (213) / materials id 530571](https://mdr.nims.go.jp/datasets/5bca7b5f-7563-42ca-95a1-3d6dfb71eef1)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  16</c><c>Na</c><c>     22.99000000</c><c>      7.00000000</c><c>  PAW_PBE Na_pv 19Sep2006               </c></rc>    <rc><c>  32</c><c>O </c><c>     16.00000000</c><c>      6.00000000</c><c>  PAW_PBE O 08Apr2002                   </c></rc>    <rc><c>  12</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 = 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 Na O Sn   1.0     9.2439972000000008    0.0000000000000000    0.0000000000000000     0.0000000000000000    9.2439972000000008    0.0000000000000000     0.0000000000000000    0.0000000000000000    9.2439972000000008 Na O Sn  16  32  12Direct   0.1072087700000000  0.8750000000000000  0.6427912300000000   0.1250000000000000  0.1427912300000000  0.3927912300000000   0.1250000000000000  0.3750000000000000  0.6250000000000000   0.1427912300000000  0.3927912300000000  0.1250000000000000   0.3572087700000000  0.6072087700000000  0.6250000000000000   0.3750000000000000  0.6250000000000000  0.1250000000000000   0.3750000000000000  0.8572087700000000  0.8927912300000000   0.3927912300000000  0.1250000000000000  0.1427912300000000   0.6072087700000000  0.6250000000000000  0.3572087700000000   0.6250000000000000  0.1250000000000000  0.3750000000000000   0.6250000000000000  0.3572087700000000  0.6072087700000000   0.6427912300000000  0.1072087700000000  0.8750000000000000   0.8572087700000000  0.8927912300000000  0.3750000000000000   0.8750000000000000  0.6427912300000000  0.1072087700000000   0.8750000000000000  0.8750000000000000  0.8750000000000000   0.8927912300000000  0.3750000000000000  0.8572087700000000   0.0916600500000000  0.6340703900000000  0.5963345200000000   0.0963345200000000  0.4083399500000000  0.3659296100000000   0.1159296100000000  0.6583399500000000  0.1536654800000000   0.1195052100000000  0.1195052100000000  0.1195052100000000   0.1304947900000000  0.8695052100000000  0.3695052100000000   0.1340703900000000  0.9036654800000000  0.9083399500000000   0.1536654800000000  0.1159296100000000  0.6583399500000000   0.1583399500000000  0.3463345200000000  0.8840703900000000   0.3416600500000000  0.6536654800000000  0.3840703900000000   0.3463345200000000  0.8840703900000000  0.1583399500000000   0.3659296100000000  0.0963345200000000  0.4083399500000000   0.3695052100000000  0.1304947900000000  0.8695052100000000   0.3804947900000000  0.8804947900000000  0.6195052100000000   0.3840703900000000  0.3416600500000000  0.6536654800000000   0.4036654800000000  0.5916600500000000  0.8659296100000000   0.4083399500000000  0.3659296100000000  0.0963345200000000   0.5916600500000000  0.8659296100000000  0.4036654800000000   0.5963345200000000  0.0916600500000000  0.6340703900000000   0.6159296100000000  0.8416600500000000  0.8463345200000000   0.6195052100000000  0.3804947900000000  0.8804947900000000   0.6304947900000000  0.6304947900000000  0.6304947900000000   0.6340703900000000  0.5963345200000000  0.0916600500000000   0.6536654800000000  0.3840703900000000  0.3416600500000000   0.6583399500000000  0.1536654800000000  0.1159296100000000   0.8416600500000000  0.8463345200000000  0.6159296100000000   0.8463345200000000  0.6159296100000000  0.8416600500000000   0.8659296100000000  0.4036654800000000  0.5916600500000000   0.8695052100000000  0.3695052100000000  0.1304947900000000   0.8804947900000000  0.6195052100000000  0.3804947900000000   0.8840703900000000  0.1583399500000000  0.3463345200000000   0.9036654800000000  0.9083399500000000  0.1340703900000000   0.9083399500000000  0.1340703900000000  0.9036654800000000   0.1181123400000000  0.6318876600000001  0.3750000000000000   0.1250000000000000  0.8818876600000000  0.1318876600000000   0.1318876600000000  0.1250000000000000  0.8818876600000000   0.3681123400000000  0.8750000000000000  0.3818876600000000   0.3750000000000000  0.1181123400000000  0.6318876600000001   0.3818876600000000  0.3681123400000000  0.8750000000000000   0.6181123399999999  0.8681123400000000  0.6250000000000000   0.6250000000000000  0.6181123399999999  0.8681123400000000   0.6318876600000001  0.3750000000000000  0.1181123400000000   0.8681123400000000  0.6250000000000000  0.6181123399999999   0.8750000000000000  0.3818876600000000  0.3681123400000000   0.8818876600000000  0.1318876600000000  0.1250000000000000vasp-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     2     2 0.000 0.000 0.000