# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/253d04cc-7bc0-44ca-8b90-092b38652fcd/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 Y3DyO6 / C2 (5) / materials id 757197](https://mdr.nims.go.jp/datasets/7f42ffd9-11bb-454b-9b5c-97395b539a53)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 8Dy 162.50000000 9.00000000 PAW_PBE Dy_3 06Sep2000 24Y 88.90600000 11.00000000 PAW_PBE Y_sv 25May2007 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 Dy Y O 1.0 14.9069561299999993 0.0000000000000000 0.0007827100000000 0.0000000000000000 10.5424281700000009 0.0000000000000000 -7.4516091400000004 0.0000000000000000 7.4530893899999997 Dy Y O 8 24 48Direct 0.5000000000000000 0.9672737100000000 0.5000000000000000 0.9672209300000000 0.7499907900000000 0.7172364600000001 0.0327790700000000 0.7499907900000000 0.2827635400000000 0.0000000000000000 0.9671909300000000 0.5000000000000000 0.0000000000000000 0.4672737100000000 0.5000000000000000 0.4672209300000000 0.2499907900000000 0.7172364600000001 0.5327790700000000 0.2499907900000000 0.2827635400000000 0.5000000000000000 0.4671909300000000 0.5000000000000000 0.5000000000000000 0.5326011500000001 0.0000000000000000 0.7500469100000000 0.2500401600000000 0.7501032500000000 0.5326446400000000 0.7499892800000000 0.7826586400000000 0.4673553600000000 0.7499892800000000 0.2173413600000000 0.7499633999999999 0.0000210900000000 0.0326270200000000 0.7500355200000000 0.0000216000000000 0.5326396700000000 0.7499530900000000 0.7500401600000000 0.2498967500000000 0.7500775399999999 0.2499099700000000 0.2500984300000000 0.0000000000000000 0.5326803400000000 0.0000000000000000 0.7499224600000001 0.7499099700000000 0.7499015700000000 0.7499644800000000 0.5000216000000000 0.4673603300000000 0.7500366000000001 0.5000210899999999 0.9673729800000000 0.0000000000000000 0.0326011500000000 0.0000000000000000 0.2500469100000000 0.7500401600000000 0.7501032500000000 0.0326446400000000 0.2499892800000000 0.7826586400000000 0.9673553600000000 0.2499892800000000 0.2173413600000000 0.2499634000000000 0.5000210899999999 0.0326270200000000 0.2500355200000000 0.5000216000000000 0.5326396700000000 0.2499530900000000 0.2500401600000000 0.2498967500000000 0.2500775400000000 0.7499099700000000 0.2500984300000000 0.5000000000000000 0.0326803400000000 0.0000000000000000 0.2499224600000000 0.2499099700000000 0.7499015700000000 0.2499644800000000 0.0000216000000000 0.4673603300000000 0.2500366000000000 0.0000210900000000 0.9673729800000000 0.6512409699999999 0.8907443600000000 0.7808703299999999 0.8485161000000000 0.1092214800000000 0.9782352200000000 0.6204568900000000 0.3485464600000000 0.7613194400000000 0.6201930300000000 0.6513944400000000 0.2608911100000000 0.6203490600000000 0.1514605100000000 0.9796811500000000 0.6203013200000000 0.8486129600000000 0.4794093800000000 0.1514839000000000 0.1092214800000000 0.0217647800000000 0.3487590300000000 0.8907443600000000 0.2191296700000000 0.3907452700000000 0.6203508300000000 0.2921972900000000 0.1092139300000000 0.3797521800000000 0.0106762700000000 0.8906944800000000 0.8796428400000000 0.7920195999999999 0.6093467500000000 0.1204605000000000 0.5106619600000000 0.3906532500000000 0.1204605000000000 0.4893380400000000 0.1093055200000000 0.8796428400000000 0.2079804000000000 0.6092547300000000 0.6203508300000000 0.7078027099999999 0.8907860700000000 0.3797521800000000 0.9893237300000000 0.1514903300000000 0.6091604400000000 0.2811968900000000 0.3487474800000000 0.3908071400000000 0.4783650200000000 0.8796986800000000 0.3486129600000000 0.5205906200000000 0.8796509400000000 0.6514605099999999 0.0203188500000000 0.8795431100000000 0.8485464600000000 0.2386805600000000 0.8798069700000000 0.1513944400000000 0.7391088900000000 0.8485096700000000 0.6091604400000000 0.7188031100000001 0.6512525200000000 0.3908071400000000 0.5216349800000000 0.1512409700000000 0.3907443600000000 0.7808703299999999 0.3485161000000000 0.6092214800000000 0.9782352200000000 0.1204568900000000 0.8485464600000000 0.7613194400000000 0.1201930300000000 0.1513944400000000 0.2608911100000000 0.1203490600000000 0.6514605099999999 0.9796811500000000 0.1203013200000000 0.3486129600000000 0.4794093800000000 0.6514839000000000 0.6092214800000000 0.0217647800000000 0.8487590300000000 0.3907443600000000 0.2191296700000000 0.8907452700000000 0.1203508300000000 0.2921972900000000 0.6092139300000000 0.8797521800000000 0.0106762700000000 0.3906944800000000 0.3796428400000000 0.7920195999999999 0.1093467500000000 0.6204605000000001 0.5106619600000000 0.8906532500000000 0.6204605000000001 0.4893380400000000 0.6093055199999999 0.3796428400000000 0.2079804000000000 0.1092547300000000 0.1203508300000000 0.7078027099999999 0.3907860700000000 0.8797521800000000 0.9893237300000000 0.6514903300000000 0.1091604400000000 0.2811968900000000 0.8487474800000000 0.8908071399999999 0.4783650200000000 0.3796986800000000 0.8486129600000000 0.5205906200000000 0.3796509400000000 0.1514605100000000 0.0203188500000000 0.3795431100000000 0.3485464600000000 0.2386805600000000 0.3798069700000000 0.6513944400000000 0.7391088900000000 0.3485096700000000 0.1091604400000000 0.7188031100000001 0.1512525200000000 0.8908071399999999 0.5216349800000000vasp-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 3 0.000 0.000 0.000