# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/bf7ab905-2d9e-4ee3-9ae1-55b098cce3cf/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 Cs4Zr3S14 / C2/c (15) / materials id 680246](https://mdr.nims.go.jp/datasets/fe7df733-dbc9-465d-8615-f609c6e903d7)
## 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 12Zr 91.22400000 12.00000000 PAW_PBE Zr_sv 04Jan2005 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 Zr S 1.0 21.8073042000000008 0.0000000000000000 0.1816469500000000 0.0000000000000000 8.4070276699999997 0.0000000000000000 -5.2987084900000001 0.0000000000000000 12.8339490600000001 Cs Zr S 16 12 56Direct 0.7046350299999999 0.8178051800000000 0.6094870700000000 0.5621470800000000 0.2584948700000000 0.6424211000000000 0.7953649700000001 0.3178051800000000 0.8905129300000000 0.9378529200000000 0.7584948700000000 0.8575789000000000 0.7953649700000001 0.6821948200000000 0.3905129300000000 0.9378529200000000 0.2415051300000000 0.3575789000000000 0.7046350299999999 0.1821948200000000 0.1094870700000000 0.5621470800000000 0.7415051300000000 0.1424211000000000 0.2046350300000000 0.3178051800000000 0.6094870700000000 0.0621470800000000 0.7584948700000000 0.6424211000000000 0.2953649700000000 0.8178051800000000 0.8905129300000000 0.4378529200000000 0.2584948700000000 0.8575789000000000 0.2953649700000000 0.1821948200000000 0.3905129300000000 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0.3387337300000000 0.2892187500000000 0.1421871100000000 0.9516769899999999 0.8889349900000000vasp-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