# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/efcf008f-e857-456b-ada8-cb7e38c94771/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 Y7TmO12 / I2_12_12_1 (24) / materials id 766267](https://mdr.nims.go.jp/datasets/d6beca86-7ee5-435d-8457-eed739999d84)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 28Y 88.90600000 11.00000000 PAW_PBE Y_sv 25May2007 4Tm 168.93000000 9.00000000 PAW_PBE Tm_3 20Jan2003 48O 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 Y Tm O 1.0 10.5156728499999996 0.0000000000000000 0.0000000000000000 0.0000000000000000 10.5161866600000007 0.0000000000000000 0.0000000000000000 0.0000000000000000 10.5202144999999998 Y Tm O 28 4 48Direct 0.7500000000000000 0.7173673600000000 0.5000000000000000 0.9997580900000000 0.4988426000000000 0.4993006800000000 0.2171726200000000 0.0000000000000000 0.7500000000000000 0.7828273800000000 0.5000000000000000 0.7500000000000000 0.0000000000000000 0.7500000000000000 0.7835423400000000 0.5000000000000000 0.2500000000000000 0.7819243600000000 0.9997580900000000 0.5011574000000000 0.0006993200000000 0.0002419100000000 0.0011574000000000 0.4993006800000000 0.7500000000000000 0.2826326400000000 0.0000000000000000 0.0002419100000000 0.9988426000000000 0.0006993200000000 0.0000000000000000 0.2500000000000000 0.2180756400000000 0.5000000000000000 0.7500000000000000 0.2164576600000000 0.7818315499999999 0.0000000000000000 0.2500000000000000 0.2181684500000000 0.5000000000000000 0.2500000000000000 0.2500000000000000 0.2173673600000000 0.0000000000000000 0.4997580900000000 0.9988426000000000 0.9993006800000001 0.7171726199999999 0.5000000000000000 0.2500000000000000 0.2828273800000000 0.0000000000000000 0.2500000000000000 0.5000000000000000 0.2500000000000000 0.2835423400000000 0.0000000000000000 0.7500000000000000 0.2819243600000000 0.4997580900000000 0.0011574000000000 0.5006993199999998 0.5002419100000000 0.5011574000000000 0.9993006800000001 0.2500000000000000 0.7826326400000000 0.5000000000000000 0.5002419100000000 0.4988426000000000 0.5006993199999998 0.5000000000000000 0.7500000000000000 0.7180756400000000 0.0000000000000000 0.2500000000000000 0.7164576600000000 0.2818315500000000 0.5000000000000000 0.7500000000000000 0.7181684500000001 0.0000000000000000 0.7500000000000000 0.2500000000000000 0.7166996600000000 0.0000000000000000 0.2500000000000000 0.2833003400000000 0.5000000000000000 0.7500000000000000 0.2166996600000000 0.5000000000000000 0.7500000000000000 0.7833003400000000 0.0000000000000000 0.0980211600000000 0.8598734100000001 0.6298845700000000 0.9019788399999999 0.6401265899999999 0.6298845700000000 0.1302176600000000 0.4009329600000000 0.6393623900000001 0.6296585800000001 0.5984676200000000 0.6410860300000000 0.1302176600000000 0.5990670400000000 0.8606376099999999 0.6296585800000001 0.4015323800000000 0.8589139700000000 0.9019788399999999 0.3598734100000000 0.8701154300000000 0.0980211600000000 0.1401265900000000 0.8701154300000000 0.1422799600000000 0.8686760200000000 0.9028108500000001 0.8577200400000000 0.6313239800000000 0.9028108500000001 0.3593411400000000 0.3705153200000000 0.9012706699999999 0.6406588600000001 0.1294846800000000 0.9012706699999999 0.1406588600000000 0.3705153200000000 0.0987293300000000 0.3577200400000000 0.8686760200000000 0.0971891500000000 0.6422799600000000 0.6313239800000000 0.0971891500000000 0.8593411399999999 0.1294846800000000 0.0987293300000000 0.8992548000000000 0.8575252200000000 0.1287534400000000 0.1007452000000000 0.6424747800000000 0.1287534400000000 0.8703414200000000 0.4015323800000000 0.1410860300000000 0.3697823400000000 0.5990670400000000 0.1393623900000000 0.8703414200000000 0.5984676200000000 0.3589139700000000 0.3697823400000000 0.4009329600000000 0.3606376100000000 0.8992548000000000 0.1424747800000000 0.3712465600000000 0.1007452000000000 0.3575252200000000 0.3712465600000000 0.5980211600000001 0.3598734100000000 0.1298845700000000 0.4019788400000000 0.1401265900000000 0.1298845700000000 0.6302176600000000 0.9009329600000000 0.1393623900000000 0.1296585800000000 0.0984676200000000 0.1410860300000000 0.6302176600000000 0.0990670400000000 0.3606376100000000 0.1296585800000000 0.9015323800000000 0.3589139700000000 0.4019788400000000 0.8598734100000001 0.3701154300000000 0.5980211600000001 0.6401265899999999 0.3701154300000000 0.6422799600000000 0.3686760200000000 0.4028108500000000 0.3577200400000000 0.1313239800000000 0.4028108500000000 0.8593411399999999 0.8705153200000000 0.4012706700000000 0.1406588600000000 0.6294846800000000 0.4012706700000000 0.6406588600000001 0.8705153200000000 0.5987293300000001 0.8577200400000000 0.3686760200000000 0.5971891499999999 0.1422799600000000 0.1313239800000000 0.5971891499999999 0.3593411400000000 0.6294846800000000 0.5987293300000001 0.3992548000000000 0.3575252200000000 0.6287534400000000 0.6007452000000000 0.1424747800000000 0.6287534400000000 0.3703414200000000 0.9015323800000000 0.6410860300000000 0.8697823400000000 0.0990670400000000 0.6393623900000001 0.3703414200000000 0.0984676200000000 0.8589139700000000 0.8697823400000000 0.9009329600000000 0.8606376099999999 0.3992548000000000 0.6424747800000000 0.8712465600000000 0.6007452000000000 0.8575252200000000 0.8712465600000000vasp-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 2 2 0.000 0.000 0.000