# Fileset [vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/08453a33-b798-4b16-aed6-b56d8ee44fae/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 K3Y3(BO3)4 / P2_1/c (14) / materials id 642313](https://mdr.nims.go.jp/datasets/78c4b569-c795-40d8-ab57-7c6e297d5a80) ## Fulltext vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 1 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 24K 39.09800000 7.00000000 PAW_PBE K_pv 17Jan2003 24Y 88.90600000 11.00000000 PAW_PBE Y_sv 25May2007 32B 10.81100000 3.00000000 PAW_PBE B 06Sep2000 96O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 520.000000 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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0.6151899300000000 0.5055591500000001 0.2571640900000000 0.3848100700000000 0.4944408500000000 0.7428359099999999 0.0498503900000000 0.4493360500000000 0.4521701200000000 0.2127972900000000 0.3741856800000000 0.2224991500000000 0.2195983500000000 0.1135963300000000 0.0835924600000000 0.8978547100000001 0.5659168999999999 0.2726228400000000 0.0498503900000000 0.0506639500000000 0.9521701200000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 520.000000 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 1 2 0.000 0.000 0.000