# Fileset [vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/8a4bb08a-dc2b-4124-a353-02c032d4b52f/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 SiO2 / P4/nmm (129) / materials id 600015](https://mdr.nims.go.jp/datasets/37327195-5477-401f-bdeb-ccc1d94b325f) ## Fulltext vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 1 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 48Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 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. NPAR = 4vasp-settings/POSCAR-unitcell Si O 1.0 13.7085794900000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 13.7085794900000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 7.6749328900000000 Si O 24 48Direct 0.2248970600000000 0.1149921100000000 0.8537957400000000 0.3850078900000000 0.7248970600000000 0.8537957400000000 0.6149921100000000 0.2751029400000000 0.8537957400000000 0.7248970600000000 0.3850078900000000 0.1462042600000000 0.2751029400000000 0.6149921100000000 0.1462042600000000 0.7751029400000000 0.8850078900000000 0.8537957400000000 0.1149921100000000 0.2248970600000000 0.1462042600000000 0.8850078900000000 0.7751029400000000 0.1462042600000000 0.2751029400000000 0.3850078900000000 0.1462042600000000 0.1149921100000000 0.7751029400000000 0.1462042600000000 0.8850078900000000 0.2248970600000000 0.1462042600000000 0.7751029400000000 0.1149921100000000 0.8537957400000000 0.2248970600000000 0.8850078900000000 0.8537957400000000 0.7248970600000000 0.6149921100000000 0.1462042600000000 0.3850078900000000 0.2751029400000000 0.8537957400000000 0.6149921100000000 0.7248970600000000 0.8537957400000000 0.8871997000000000 0.1128003000000000 0.5000000000000000 0.3871997000000000 0.3871997000000000 0.5000000000000000 0.6128003000000000 0.6128003000000000 0.5000000000000000 0.1128003000000000 0.8871997000000000 0.5000000000000000 0.6128003000000000 0.3871997000000000 0.5000000000000000 0.1128003000000000 0.1128003000000000 0.5000000000000000 0.8871997000000000 0.8871997000000000 0.5000000000000000 0.3871997000000000 0.6128003000000000 0.5000000000000000 0.2485580600000000 0.0000000000000000 0.8703745200000000 0.5000000000000000 0.7485580600000000 0.8703745200000000 0.5000000000000000 0.2514419400000000 0.8703745200000000 0.7485580600000000 0.5000000000000000 0.1296254800000000 0.2514419400000000 0.5000000000000000 0.1296254800000000 0.7514419400000000 0.0000000000000000 0.8703745200000000 0.0000000000000000 0.2485580600000000 0.1296254800000000 0.0000000000000000 0.7514419400000000 0.1296254800000000 0.1827345600000000 0.1404059400000000 0.6618480000000000 0.3595940600000000 0.6827345600000000 0.6618480000000000 0.6404059400000000 0.3172654400000000 0.6618480000000000 0.6827345600000000 0.3595940600000000 0.3381520000000000 0.3172654400000000 0.6404059400000000 0.3381520000000000 0.8172654400000000 0.8595940600000000 0.6618480000000000 0.1404059400000000 0.1827345600000000 0.3381520000000000 0.8595940600000000 0.8172654400000000 0.3381520000000000 0.3172654400000000 0.3595940600000000 0.3381520000000000 0.1404059400000000 0.8172654400000000 0.3381520000000000 0.8595940600000000 0.1827345600000000 0.3381520000000000 0.8172654400000000 0.1404059400000000 0.6618480000000000 0.1827345600000000 0.8595940600000000 0.6618480000000000 0.6827345600000000 0.6404059400000000 0.3381520000000000 0.3595940600000000 0.3172654400000000 0.6618480000000000 0.6404059400000000 0.6827345600000000 0.6618480000000000 0.1448733600000000 0.1448733600000000 0.0000000000000000 0.3551266400000000 0.6448733600000001 0.0000000000000000 0.6448733600000001 0.3551266400000000 0.0000000000000000 0.8551266399999999 0.8551266399999999 0.0000000000000000 0.3551266400000000 0.3551266400000000 0.0000000000000000 0.1448733600000000 0.8551266399999999 0.0000000000000000 0.8551266399999999 0.1448733600000000 0.0000000000000000 0.6448733600000001 0.6448733600000001 0.0000000000000000 0.3253486200000000 0.1746513800000000 0.8842729600000000 0.3253486200000000 0.8253486200000000 0.8842729600000000 0.6746513800000000 0.1746513800000000 0.8842729600000000 0.8253486200000000 0.3253486200000000 0.1157270400000000 0.1746513800000000 0.6746513800000000 0.1157270400000000 0.6746513800000000 0.8253486200000000 0.8842729600000000 0.1746513800000000 0.3253486200000000 0.1157270400000000 0.8253486200000000 0.6746513800000000 0.1157270400000000 0.8706344100000000 0.0000000000000000 0.4417980700000000 0.5000000000000000 0.3706344100000000 0.4417980700000000 0.5000000000000000 0.6293655899999999 0.4417980700000000 0.3706344100000000 0.5000000000000000 0.5582019300000001 0.6293655899999999 0.5000000000000000 0.5582019300000001 0.1293655900000000 0.0000000000000000 0.4417980700000000 0.0000000000000000 0.8706344100000000 0.5582019300000001 0.0000000000000000 0.1293655900000000 0.5582019300000001vasp-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 1 1 3 0.000 0.000 0.000