# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/3e800afe-8ba2-4fb9-a6e1-6e4d27a80869/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 K3Nb2S11 / C2/c (15) / materials id 680410](https://mdr.nims.go.jp/datasets/9dc1ab85-e8ad-46e5-9f40-b00dcb075249)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 3 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 24K 39.09800000 7.00000000 PAW_PBE K_pv 17Jan2003 16Nb 92.00000000 11.00000000 PAW_PBE Nb_pv 08Apr2002 88S 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 Nb S 1.0 35.3779724500000015 0.0000000000000000 0.2511557900000000 0.0000000000000000 7.8716027500000001 0.0000000000000000 -2.1741934999999999 0.0000000000000000 11.9308185800000004 K Nb S 24 16 88Direct 0.3833003800000000 0.7791728300000000 0.6708473300000000 0.1166996200000000 0.7208271700000000 0.3291526700000000 0.1166996200000000 0.2791728300000000 0.8291526700000000 0.2903029700000000 0.1488030600000000 0.7450312299999999 0.2096970300000000 0.6488030600000000 0.7549687700000001 0.0328903500000000 0.1805801400000000 0.0954521500000000 0.2096970300000000 0.3511969400000000 0.2549687700000000 0.4671096500000000 0.3194198600000000 0.9045478500000000 0.2903029700000000 0.8511969400000000 0.2450312300000000 0.0328903500000000 0.8194198600000000 0.5954521500000001 0.4671096500000000 0.6805801400000000 0.4045478500000000 0.3833003800000000 0.2208271700000000 0.1708473300000000 0.8833003800000000 0.2791728300000000 0.6708473300000000 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0.6433059900000000 0.8812342300000000 0.9626405200000000 0.4047078900000000 0.5507843000000000 0.8036141900000000 0.5787856499999999 0.6076098900000000 0.1772071000000000 0.7705876000000000 0.6076098900000000 0.8227929000000000 0.2705876000000000 0.6310608500000000 0.9444949400000000 0.5509831800000000 0.8357585100000000 0.0972130200000000 0.4486134500000000 0.6187657700000000 0.5373594800000000 0.5952921099999999 0.7350162499999999 0.3636880600000000 0.0030972100000000 0.6413272000000000 0.6330115199999999 0.3566940100000000 0.9556261800000000 0.9829776900000000 0.1484872300000000 0.9492157000000000 0.3036141900000000 0.9212143500000000 0.8923901100000000 0.6772071000000000 0.7294124000000000 0.9612517200000000 0.5600910000000000 0.5692057900000000 0.9492157000000000 0.6963858100000000 0.4212143500000000 0.5443738200000000 0.5170223100000000 0.8515127700000000 0.7649837500000000 0.8636880600000000 0.4969027900000000 0.6310608500000000 0.0555050600000000 0.0509831800000000 0.6831544199999999 0.0127746000000000 0.9969397100000000 0.6413272000000000 0.3669884800000000 0.8566940100000000 0.8168455800000000 0.5127746000000000 0.5030602900000001 0.9556261800000000 0.0170223100000000 0.6484872300000000 0.7020072200000000 0.7348859500000000 0.7638522300000000 0.7350162499999999 0.6363119400000000 0.5030972100000000 0.5387482800000001 0.9399090000000000 0.4307942100000000 0.6187657700000000 0.4626405200000000 0.0952921100000000 0.6831544199999999 0.9872254000000000 0.4969397100000000 0.7979927800000000 0.2348859500000000 0.7361477700000000 0.7020072200000000 0.2651140500000000 0.2638522300000000vasp-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