# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/2f488115-1199-4aa6-a92c-4aa40a3d204e/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 Li2PtO3 / C2 (5) / materials id 531826](https://mdr.nims.go.jp/datasets/64082813-542f-4924-b3e9-c45bb97f1fc7)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 4 2 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 48Li 7.01000000 3.00000000 PAW_PBE Li_sv 10Sep2004 72O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 24Pt 195.08000000 10.00000000 PAW_PBE Pt 04Feb2005 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 648.744200 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 Li O Pt 1.0 5.1954879800000002 0.0000000000000000 0.0003941400000000 0.0000000000000000 8.9927743299999996 0.0000000000000000 -0.0076550200000000 0.0000000000000000 28.4472519099999985 Li O Pt 48 72 24Direct 0.0000000000000000 0.6672047999999999 0.0000000000000000 0.3283931300000000 0.6650781100000001 0.0833185600000000 0.8377777000000000 0.5015007600000000 0.0833515500000000 0.8336694000000000 0.8334493400000000 0.0833343500000000 0.1674113600000000 0.4997381100000000 0.1666487300000000 0.9995334900000000 0.6634396600000000 0.2500518800000000 0.4991529000000000 0.4998831400000000 0.2499320400000000 0.0000355200000000 0.3367030000000000 0.2500133600000000 0.8332833600000000 0.4999877900000000 0.3333193900000000 0.6666686200000000 0.6631890300000001 0.4166685600000000 0.1666732700000000 0.4999963500000000 0.4166694900000000 0.6666845500000000 0.3368042100000000 0.4166684000000000 0.0000000000000000 0.9999949100000000 0.5000000000000000 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0.3465777300000000 0.6667837700000000 0.9611153099999999 0.8265305100000000 0.8398443100000000 0.9610796900000000 0.3261325900000000 0.9933021700000000 0.9607562100000000 0.0000000000000000 0.3332753000000000 0.0000000000000000 0.0000000000000000 0.9999004800000000 0.0000000000000000 0.1665020900000000 0.1667313400000000 0.1666695900000000 0.1664997300000000 0.8333448100000000 0.1666731200000000 0.3333422000000000 0.6666777500000001 0.3333374700000000 0.3333364700000000 0.3333206000000000 0.3333395400000000 0.0000000000000000 0.6666807299999999 0.5000000000000000 0.0000000000000000 0.3333108700000000 0.5000000000000000 0.6666578000000001 0.6666777500000001 0.6666625300000000 0.6666635300000000 0.3333206000000000 0.6666604600000000 0.8334979100000000 0.1667313400000000 0.8333304100000000 0.8335002700000000 0.8333448100000000 0.8333268800000000 0.5000000000000000 0.8332753300000000 0.0000000000000000 0.5000000000000000 0.4999003200000000 0.0000000000000000 0.6665025300000000 0.6667309500000000 0.1666696000000000 0.6665001900000000 0.3333451600000000 0.1666731300000000 0.8333415600000000 0.1666785700000000 0.3333374600000000 0.8333358399999999 0.8333197900000000 0.3333395300000000 0.5000000000000000 0.1666817200000000 0.5000000000000000 0.5000000000000000 0.8333098800000001 0.5000000000000000 0.1666584400000000 0.1666785700000000 0.6666625400000000 0.1666641600000000 0.8333197900000000 0.6666604700000001 0.3334974700000000 0.6667309500000000 0.8333304000000000 0.3334998100000000 0.3333451600000000 0.8333268700000001vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 648.744200 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 4 2 1 0.000 0.000 0.000