# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/eb22169e-e4a2-4352-a206-a5950c29fb5c/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 Rb4Zr3Te16 / C2/c (15) / materials id 541953](https://mdr.nims.go.jp/datasets/9d33f48f-765e-4142-9626-a66c0bf6a293)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 1 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 16Rb 85.46800000 7.00000000 PAW_PBE Rb_pv 06Sep2000 12Zr 91.22400000 12.00000000 PAW_PBE Zr_sv 04Jan2005 64Te 127.60000000 6.00000000 PAW_PBE Te 08Apr2002 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 298.867400 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 Rb Zr Te 1.0 11.8549214400000000 0.0000000000000000 0.0713104500000000 0.0000000000000000 18.7449295999999990 0.0000000000000000 -3.2919680499999999 0.0000000000000000 14.6438755999999994 Rb Zr Te 16 12 64Direct 0.3995527600000000 0.8509200100000001 0.5718195600000000 0.6004472400000000 0.8509200100000001 0.9281804400000000 0.6004472400000000 0.1490799900000000 0.4281804400000000 0.3995527600000000 0.1490799900000000 0.0718195600000000 0.3846338400000000 0.3660819400000000 0.6308933600000000 0.6153661600000000 0.3660819400000000 0.8691066400000000 0.6153661600000000 0.6339180600000001 0.3691066400000000 0.3846338400000000 0.6339180600000001 0.1308933600000000 0.8995527600000000 0.3509200100000000 0.5718195600000000 0.1004472400000000 0.3509200100000000 0.9281804400000000 0.1004472400000000 0.6490799899999999 0.4281804400000000 0.8995527600000000 0.6490799899999999 0.0718195600000000 0.8846338400000000 0.8660819399999999 0.6308933600000000 0.1153661600000000 0.8660819399999999 0.8691066400000000 0.1153661600000000 0.1339180600000000 0.3691066400000000 0.8846338400000000 0.1339180600000000 0.1308933600000000 0.6772399700000000 0.1172107900000000 0.7712332200000001 0.3227600300000000 0.1172107900000000 0.7287667799999999 0.3227600300000000 0.8827892100000000 0.2287667800000000 0.6772399700000000 0.8827892100000000 0.2712332200000000 0.5000000000000000 0.6115406999999999 0.7500000000000000 0.5000000000000000 0.3884593000000000 0.2500000000000000 0.1772399700000000 0.6172107900000000 0.7712332200000001 0.8227600300000000 0.6172107900000000 0.7287667799999999 0.8227600300000000 0.3827892100000000 0.2287667800000000 0.1772399700000000 0.3827892100000000 0.2712332200000000 0.0000000000000000 0.1115407000000000 0.7500000000000000 0.0000000000000000 0.8884593000000000 0.2500000000000000 0.7979013300000000 0.0516126500000000 0.6270050600000000 0.2020986700000000 0.0516126500000000 0.8729949400000000 0.2020986700000000 0.9483873500000000 0.3729949400000000 0.7979013300000000 0.9483873500000000 0.1270050600000000 0.4515296800000000 0.6497615100000000 0.5550746900000000 0.5484703200000001 0.6497615100000000 0.9449253100000000 0.5484703200000001 0.3502384900000000 0.4449253100000000 0.4515296800000000 0.3502384900000000 0.0550746900000000 0.1227152400000000 0.0383253700000000 0.6247224800000000 0.8772847600000000 0.0383253700000000 0.8752775200000000 0.8772847600000000 0.9616746300000000 0.3752775200000000 0.1227152400000000 0.9616746300000000 0.1247224800000000 0.3192902600000000 0.9604467800000001 0.7584953700000000 0.6807097400000000 0.9604467800000001 0.7415046300000000 0.6807097400000000 0.0395532200000000 0.2415046300000000 0.3192902600000000 0.0395532200000000 0.2584953700000000 0.3510894500000000 0.7325310800000000 0.7839456100000000 0.6489105500000000 0.7325310800000000 0.7160543900000000 0.6489105500000000 0.2674689200000000 0.2160543900000000 0.3510894500000000 0.2674689200000000 0.2839456100000000 0.6402235600000000 0.2427683400000000 0.6575302599999999 0.3597764400000000 0.2427683400000000 0.8424697400000000 0.3597764400000000 0.7572316600000000 0.3424697400000000 0.6402235600000000 0.7572316600000000 0.1575302600000000 0.4864077100000000 0.0658895600000000 0.6224215399999999 0.5135922900000001 0.0658895600000000 0.8775784600000001 0.5135922900000001 0.9341104400000000 0.3775784600000000 0.4864077100000000 0.9341104400000000 0.1224215400000000 0.3515249700000000 0.1857490000000000 0.5564319500000000 0.6484750300000000 0.1857490000000000 0.9435680500000000 0.6484750300000000 0.8142510000000001 0.4435680500000000 0.3515249700000000 0.8142510000000001 0.0564319500000000 0.2979013300000000 0.5516126500000000 0.6270050600000000 0.7020986700000000 0.5516126500000000 0.8729949400000000 0.7020986700000000 0.4483873500000000 0.3729949400000000 0.2979013300000000 0.4483873500000000 0.1270050600000000 0.9515296800000000 0.1497615100000000 0.5550746900000000 0.0484703200000000 0.1497615100000000 0.9449253100000000 0.0484703200000000 0.8502384900000000 0.4449253100000000 0.9515296800000000 0.8502384900000000 0.0550746900000000 0.6227152400000000 0.5383253700000000 0.6247224800000000 0.3772847600000000 0.5383253700000000 0.8752775200000000 0.3772847600000000 0.4616746300000000 0.3752775200000000 0.6227152400000000 0.4616746300000000 0.1247224800000000 0.8192902600000000 0.4604467800000000 0.7584953700000000 0.1807097400000000 0.4604467800000000 0.7415046300000000 0.1807097400000000 0.5395532199999999 0.2415046300000000 0.8192902600000000 0.5395532199999999 0.2584953700000000 0.8510894500000000 0.2325310800000000 0.7839456100000000 0.1489105500000000 0.2325310800000000 0.7160543900000000 0.1489105500000000 0.7674689200000000 0.2160543900000000 0.8510894500000000 0.7674689200000000 0.2839456100000000 0.1402235600000000 0.7427683400000000 0.6575302599999999 0.8597764400000000 0.7427683400000000 0.8424697400000000 0.8597764400000000 0.2572316600000000 0.3424697400000000 0.1402235600000000 0.2572316600000000 0.1575302600000000 0.9864077100000000 0.5658895600000000 0.6224215399999999 0.0135922900000000 0.5658895600000000 0.8775784600000001 0.0135922900000000 0.4341104400000000 0.3775784600000000 0.9864077100000000 0.4341104400000000 0.1224215400000000 0.8515249700000000 0.6857489999999999 0.5564319500000000 0.1484750300000000 0.6857489999999999 0.9435680500000000 0.1484750300000000 0.3142510000000000 0.4435680500000000 0.8515249700000000 0.3142510000000000 0.0564319500000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 298.867400 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 1 1 0.000 0.000 0.000