# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/4d7f7827-d449-4775-ab8c-ed896bbc202c/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 TlSb3(AsS4)2 / Pna2_1 (33) / materials id 558174](https://mdr.nims.go.jp/datasets/f4eab391-f463-4151-9a0b-2b7322d14736)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 2 3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 8Tl 204.38000000 13.00000000 PAW_PBE Tl_d 06Sep2000 24Sb 121.75000000 5.00000000 PAW_PBE Sb 06Sep2000 16As 74.92200000 15.00000000 PAW_PBE As_d 11Apr2003 64S 32.06600000 6.00000000 PAW_PBE S 06Sep2000 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 375.246300 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 Tl Sb As S 1.0 37.9504080900000034 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.5909016800000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 7.9848780399999999 Tl Sb As S 8 24 16 64Direct 0.4720380700000000 0.0011100700000000 0.4650996900000000 0.0279619300000000 0.5011100700000000 0.9650996900000000 0.2810883200000000 0.2482686700000000 0.3554165800000000 0.7810883200000001 0.2517313300000000 0.3554165800000000 0.7189116799999999 0.7517313300000000 0.8554165800000000 0.5279619300000000 0.9988899300000000 0.9650996900000000 0.9720380700000000 0.4988899300000000 0.4650996900000000 0.2189116800000000 0.7482686700000001 0.8554165800000000 0.4277026400000000 0.2177993100000000 0.9533237100000000 0.4863848600000000 0.5382874600000001 0.4599089500000000 0.9340961600000000 0.7586762200000000 0.8847736800000000 0.1392526700000000 0.2056687400000000 0.1367393000000000 0.8239292200000000 0.5155549400000000 0.9200384100000000 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0.5870228800000000 0.5075916000000000 0.2794818900000000 0.2317780700000000 0.7969429299999999 0.2398954800000000 0.7693772200000000 0.8594933600000000 0.7246449200000000 0.0846827700000000 0.5839475599999999 0.7034467500000000 0.9030373300000000 0.1154605000000000 0.9401245200000000 0.2915005800000000 0.3594933600000000 0.7753550800000000 0.0846827700000000 0.0835980400000000 0.2007099100000000 0.9228400600000000 0.5997395999999999 0.9453650800000000 0.2265402300000000 0.2969429300000000 0.2601045200000000 0.7693772200000000 0.6619081300000000 0.4837068200000000 0.9255478800000000 0.6687132900000000 0.0612817500000000 0.9605028500000000 0.0075916000000000 0.2205181100000000 0.2317780700000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 375.246300 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 1 2 2 0.000 0.000 0.000