# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/c7324b82-a225-4837-b301-23fcb76f4f40/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 Ge(PbS2)2 / I-42d (122) / materials id 531296](https://mdr.nims.go.jp/datasets/6bccd5a4-41cb-4cec-a4d3-1ccddf69fbd7)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 1 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 16Ge 72.61000000 14.00000000 PAW_PBE Ge_d 03Jul2007 32Pb 207.20000000 14.00000000 PAW_PBE Pb_d 06Sep2000 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 = 403.382200 EDIFF = 1.000000e-08 EDIFFG = -1.000000e-08 ISMEAR = 0 SIGMA = 1.000000e-02 IALGO = 38 LREAL = .FALSE. ADDGRID = .TRUE. LWAVE = .FALSE. LCHARG = .FALSE. 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0.9422858200000001 0.4324903400000000 0.8159560299999999 0.4422858200000000 0.6755661399999999 0.4106693300000000 0.9926989800000000 0.1755661400000000 0.5893306700000001 0.7573010200000000 0.3348908600000000 0.6339727500000000 0.5592935299999999 0.8244338600000000 0.4106693300000000 0.7573010200000000 0.3159560300000000 0.4324903400000000 0.1922858200000000 0.4324903400000000 0.6840439700000001 0.8077141800000001 0.6237315299999999 0.5771064299999999 0.7231308900000000 0.4106693300000000 0.1755661400000000 0.2426989800000000 0.4106693300000000 0.3244338600000000 0.0073010200000000 0.3762684700000000 0.4228935700000000 0.7231308900000000 0.8159560299999999 0.5675096600000000 0.5577141800000001vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 403.382200 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 1 1 0.000 0.000 0.000