# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/33d5a9fc-817b-4ef0-b4e6-92186817f66c/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 Na4SnTe4 / P2_12_12_1 (19) / materials id 28108](https://mdr.nims.go.jp/datasets/4bf4e9b6-acf9-4bea-b552-ff2146d323a9)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     1     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  64</c><c>Na</c><c>     22.99000000</c><c>      7.00000000</c><c>  PAW_PBE Na_pv 19Sep2006               </c></rc>    <rc><c>  16</c><c>Sn</c><c>    118.71000000</c><c>     14.00000000</c><c>  PAW_PBE Sn_d 06Sep2000                </c></rc>    <rc><c>  64</c><c>Te</c><c>    127.60000000</c><c>      6.00000000</c><c>  PAW_PBE Te 08Apr2002                  </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 337.429300     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 Sn Te   1.0     8.5040189900000005    0.0000000000000000    0.0000000000000000     0.0000000000000000    8.6998436699999999    0.0000000000000000     0.0000000000000000    0.0000000000000000   15.2053910099999996 Na Sn Te  16   4  16Direct   0.4867288200000000  0.9656566000000000  0.5845140700000000   0.9867288200000000  0.5343434000000000  0.4154859300000000   0.5132711800000000  0.4656566000000000  0.9154859300000000   0.0132711800000000  0.0343434000000000  0.0845140700000000   0.1336700400000000  0.7629242100000000  0.6352822900000000   0.6336700399999999  0.7370757900000000  0.3647177100000000   0.8663299600000001  0.2629242100000000  0.8647177100000000   0.3663299600000000  0.2370757900000000  0.1352822900000000   0.1743705300000000  0.6284506800000000  0.1327709700000000   0.6743705300000000  0.8715493200000000  0.8672290300000001   0.8256294700000000  0.1284506800000000  0.3672290300000000   0.3256294700000000  0.3715493200000000  0.6327709699999999   0.3721905200000000  0.3617345200000000  0.3680021600000000   0.8721905200000000  0.1382654800000000  0.6319978399999999   0.6278094800000000  0.8617345199999999  0.1319978400000000   0.1278094800000000  0.6382654800000001  0.8680021600000000   0.2846968200000000  0.0702383100000000  0.8749434300000000   0.7846968200000000  0.4297616900000000  0.1250565700000000   0.7153031800000000  0.5702383100000000  0.6250565699999999   0.2153031800000000  0.9297616900000000  0.3749434300000000   0.3212576200000000  0.6786017200000001  0.4690273700000000   0.8212576200000000  0.8213982800000000  0.5309726299999999   0.6787423800000000  0.1786017200000000  0.0309726300000000   0.1787423800000000  0.3213982800000000  0.9690273700000001   0.9776755700000000  0.8374363100000000  0.2627823000000000   0.4776755700000000  0.6625636900000000  0.7372177000000000   0.0223244300000000  0.3374363100000000  0.2372177000000000   0.5223244300000001  0.1625636900000000  0.7627823000000000   0.1352405700000000  0.1647211300000000  0.4895904200000000   0.6352405700000000  0.3352788700000000  0.5104095799999999   0.8647594300000000  0.6647211300000000  0.0104095800000000   0.3647594300000000  0.8352788700000000  0.9895904200000000   0.4801801100000000  0.0437417200000000  0.2915018900000000   0.9801801100000000  0.4562582800000000  0.7084981100000001   0.5198198900000000  0.5437417200000000  0.2084981100000000   0.0198198900000000  0.9562582800000000  0.7915018900000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 337.429300     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     1 0.000 0.000 0.000