# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/c6a2a2ba-c76c-42ba-902c-3e5e7b857814/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 Cs4Ti3S14 / C2/c (15) / materials id 542011](https://mdr.nims.go.jp/datasets/67100148-6ccc-4525-bb91-5d6f21ab85e0)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 16Cs 132.90000000 9.00000000 PAW_PBE Cs_sv 08Apr2002 12Ti 47.88000000 10.00000000 PAW_PBE Ti_pv 07Sep2000 56S 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 = 336.295700 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 Cs Ti S 1.0 21.1402613099999996 0.0000000000000000 0.1687057100000000 0.0000000000000000 8.3691067900000000 0.0000000000000000 -5.7025151699999999 0.0000000000000000 12.5362343900000006 Cs Ti S 16 12 56Direct 0.7963701900000000 0.1786957300000000 0.8886125200000000 0.7036298100000000 0.6786957300000001 0.6113874800000000 0.7036298100000000 0.3213042700000000 0.1113874800000000 0.7963701900000000 0.8213042699999999 0.3886125200000000 0.5635141400000000 0.2392300000000000 0.6472091900000000 0.9364858600000000 0.7392300000000001 0.8527908100000000 0.9364858600000000 0.2607700000000000 0.3527908100000000 0.5635141400000000 0.7607699999999999 0.1472091900000000 0.2963701900000000 0.6786957300000001 0.8886125200000000 0.2036298100000000 0.1786957300000000 0.6113874800000000 0.2036298100000000 0.8213042699999999 0.1113874800000000 0.2963701900000000 0.3213042700000000 0.3886125200000000 0.0635141400000000 0.7392300000000001 0.6472091900000000 0.4364858600000000 0.2392300000000000 0.8527908100000000 0.4364858600000000 0.7607699999999999 0.3527908100000000 0.0635141400000000 0.2607700000000000 0.1472091900000000 0.8327532100000000 0.2443514400000000 0.5832125699999999 0.6672467900000000 0.7443514400000000 0.9167874300000000 0.6672467900000000 0.2556485600000000 0.4167874300000000 0.8327532100000000 0.7556485600000000 0.0832125700000000 0.5000000000000000 0.7373979399999999 0.7500000000000000 0.5000000000000000 0.2626020600000000 0.2500000000000000 0.3327532100000000 0.7443514400000000 0.5832125699999999 0.1672467900000000 0.2443514400000000 0.9167874300000000 0.1672467900000000 0.7556485600000000 0.4167874300000000 0.3327532100000000 0.2556485600000000 0.0832125700000000 0.0000000000000000 0.2373979400000000 0.7500000000000000 0.0000000000000000 0.7626020600000000 0.2500000000000000 0.9597362800000000 0.1588646900000000 0.8850521600000000 0.5402637200000000 0.6588646899999999 0.6149478400000000 0.5402637200000000 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0.9665757800000000 0.1021807000000000 0.1463360300000000 0.4665757800000000 0.3978193000000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 336.295700 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