# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/aa2d7575-5bbf-4610-93c7-6718c2c3e939/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 K3Nd3(PS4)4 / C2/c (15) / materials id 555172](https://mdr.nims.go.jp/datasets/b707720b-0c92-456d-bd5d-7bd7422dda45)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 2 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 12K 39.09800000 7.00000000 PAW_PBE K_pv 17Jan2003 12Nd 144.24000000 11.00000000 PAW_PBE Nd_3 06Sep2000 16P 30.97400000 5.00000000 PAW_PBE P 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 = 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 K Nd P S 1.0 16.0422304800000006 0.0000000000000000 -0.0279966200000000 0.0000000000000000 11.5882111000000005 0.0000000000000000 -0.2343082600000000 0.0000000000000000 14.8640678499999996 K Nd P S 12 12 16 64Direct 0.7085514900000001 0.3192849000000000 0.8367688000000000 0.5000000000000000 0.5000000000000000 0.5000000000000000 0.7085514900000001 0.6807151000000000 0.3367688000000000 0.2914485100000000 0.6807151000000000 0.1632312000000000 0.2914485100000000 0.3192849000000000 0.6632312000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.2085514900000000 0.8192849000000000 0.8367688000000000 0.0000000000000000 0.0000000000000000 0.5000000000000000 0.2085514900000000 0.1807151000000000 0.3367688000000000 0.7914485099999999 0.1807151000000000 0.1632312000000000 0.7914485099999999 0.8192849000000000 0.6632312000000000 0.5000000000000000 0.5000000000000000 0.0000000000000000 0.0000000000000000 0.2569607300000000 0.7500000000000000 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0.5794174599999999 0.5099222200000000 0.7608726500000000 0.4205825400000000 0.8144068200000000 0.8668052100000000 0.0028658400000000 0.0908401300000000 0.0534846000000000 0.8047981399999999 0.3124235600000000 0.1074441500000000 0.5226885900000000vasp-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 1 0.000 0.000 0.000