# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/39a67e84-4c2f-43c5-8e11-18fe6f25b1d7/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 Na4Cu2S3 / I4_1/a (88) / materials id 28789](https://mdr.nims.go.jp/datasets/056e5e65-aa46-4448-a587-746d670fefd4)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 64Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 48S 32.06600000 6.00000000 PAW_PBE S 06Sep2000 32Cu 63.54600000 17.00000000 PAW_PBE Cu_pv 06Sep2000 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 479.242400 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 Na S Cu 1.0 9.4057434999999998 0.0000000000000000 0.0000000000000000 0.0000000000000000 9.4057434999999998 0.0000000000000000 0.0000000000000000 0.0000000000000000 36.0587285300000033 Na S Cu 64 48 32Direct 0.5000000000000000 0.5000000000000000 0.5000000000000000 0.0000000000000000 0.5000000000000000 0.2500000000000000 0.0000000000000000 0.0000000000000000 0.5000000000000000 0.5000000000000000 0.0000000000000000 0.2500000000000000 0.5000000000000000 0.5000000000000000 0.5931722300000000 0.0000000000000000 0.5000000000000000 0.3431722300000000 0.0000000000000000 0.5000000000000000 0.1568277700000000 0.5000000000000000 0.5000000000000000 0.4068277700000000 0.5000000000000000 0.0000000000000000 0.5093397500000000 0.5000000000000000 0.5000000000000000 0.2593397500000000 0.0000000000000000 0.0000000000000000 0.2406602500000000 0.0000000000000000 0.5000000000000000 0.4906602500000000 0.0000000000000000 0.5000000000000000 0.5866774800000000 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0.3951849900000000 0.9213320000000000 0.1048150100000000 0.3479558200000000 0.6713320000000000 0.8795832200000000 0.3402907300000000 0.0814046800000000 0.8402907300000000 0.1204167800000000 0.8314046800000000 0.1597092700000000 0.8795832200000000 0.8314046800000000 0.1204167800000000 0.6597092700000000 0.0814046800000000 0.6204167800000000 0.6597092700000000 0.6685953200000000 0.6597092700000000 0.8795832200000000 0.9185953200000000 0.3402907300000000 0.1204167800000000 0.9185953200000000 0.3795832200000000 0.3402907300000000 0.6685953200000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 479.242400 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 2 1 0.000 0.000 0.000