# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/6f9c5003-72df-44fa-b990-0ab3c2aceaa0/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 Dy2(TeO3)3 / P2_1/c (14) / materials id 558224](https://mdr.nims.go.jp/datasets/5c7da01b-44cf-4f29-9870-dd94274184d3)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 4 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 16Dy 162.50000000 9.00000000 PAW_PBE Dy_3 06Sep2000 24Te 127.60000000 6.00000000 PAW_PBE Te 08Apr2002 72O 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 Te O 1.0 13.5916428299999996 0.0000000000000000 0.0153238000000000 0.0000000000000000 5.3267402099999996 0.0000000000000000 -3.3177918499999999 0.0000000000000000 22.2001303099999987 Dy Te O 16 24 72Direct 0.7993675000000000 0.6986255200000000 0.7956803500000000 0.1806417300000000 0.7123232500000001 0.8324817600000000 0.0111563400000000 0.2445607300000000 0.5603379399999999 0.2006325000000000 0.3013744800000000 0.2043196500000000 0.8193582699999999 0.2876767500000000 0.1675182400000000 0.3762870800000000 0.2695073000000000 0.3576047400000000 0.0111563400000000 0.2554392700000000 0.0603379400000000 0.9888436600000000 0.7445607300000000 0.9396620600000000 0.3762870800000000 0.2304927000000000 0.8576047400000000 0.6237129200000000 0.7304927000000000 0.6423952600000000 0.2006325000000000 0.1986255200000000 0.7043196500000000 0.9888436600000000 0.7554392700000000 0.4396620600000000 0.7993675000000000 0.8013744800000000 0.2956803500000000 0.1806417300000000 0.7876767500000000 0.3324817600000000 0.6237129200000000 0.7695073000000000 0.1423952600000000 0.8193582699999999 0.2123232500000000 0.6675182399999999 0.3918820300000000 0.7413252500000000 0.9748500500000000 0.3734155900000000 0.7942191900000000 0.2395460900000000 0.8127057400000000 0.6991228500000000 0.5450009800000000 0.5812336200000000 0.8138966300000000 0.3779726400000000 0.0019215900000000 0.2301470800000000 0.3065044400000000 0.6265844100000000 0.2057808100000000 0.7604539100000001 0.2000081200000000 0.6909246400000000 0.5870209500000000 0.0019215900000000 0.2698529200000000 0.8065044400000000 0.1872942600000000 0.3008771500000000 0.4549990200000000 0.7999918800000000 0.1909246400000000 0.9129790500000000 0.4187663800000000 0.3138966300000000 0.1220273600000000 0.6081179700000000 0.2413252500000000 0.5251499500000000 0.3918820300000000 0.7586747500000000 0.4748500500000000 0.7999918800000000 0.3090753600000000 0.4129790500000000 0.6081179700000000 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0.5076090300000000 0.5066529300000000 0.1773503200000000 0.0966156700000000 0.5784465200000000 0.5211343800000000 0.2846156400000000 0.8414515300000001 0.6731543099999999 0.0233561600000000 0.5836230300000000 0.8492154100000000 0.8922090900000000 0.4778863100000000 0.6011712700000000 0.2923460300000000 0.5635657100000000 0.0063231800000000 0.5076090300000000 0.9933470700000000 0.6773503200000000 0.5040682700000000 0.5298646499999999 0.3889688600000000 0.9200844000000000 0.5979654800000000 0.0286157200000000 0.7076539700000000 0.4364342900000000 0.9936768200000000 0.3100536200000000 0.6171329500000000 0.4057303900000000 0.1077909100000000 0.9778863100000000 0.8988287300000000 0.6490719200000000 0.8498570300000000 0.8190578300000000 0.9004392500000000 0.5976801000000000 0.2385032800000000 0.3133380400000000 0.9715195500000000 0.7842978300000000 0.8545481000000000 0.5085834299999998 0.8994259700000000 0.7153843600000001 0.3414515300000000 0.8268456900000000 0.7695740100000000 0.8673495900000000 0.6138409100000000 0.1274397200000000 0.4911679000000000 0.6376814399999999 0.7695740100000000 0.6326504100000000 0.1138409100000000 0.7102776700000000 0.5150722300000000 0.2214924100000000 0.3100536200000000 0.8828670500000000 0.9057303900000000 0.6866619600000000 0.4715195500000000 0.7157021700000000 0.1098350200000000 0.5944875100000000 0.2463269900000000 0.1077909100000000 0.5221136900000001 0.3988287300000000 0.4959317300000000 0.0298646500000000 0.1110311400000000 0.3509280800000000 0.1501429700000000 0.1809421700000000 0.2304259900000000 0.1326504100000000 0.3861590900000000 0.7153843600000001 0.1585484700000000 0.3268456900000000 0.9033843300000000 0.0784465200000000 0.9788656200000000 0.4923909700000000 0.0066529300000000 0.3226496800000000 0.4959317300000000 0.4701353500000000 0.6110311399999999 0.2846156400000000 0.6585484699999999 0.1731543100000000 0.9200844000000000 0.9020345200000000 0.5286157200000000 0.8725602800000000 0.5088321000000000 0.3623185600000000 0.8901649800000000 0.4055124900000000 0.7536730100000000 0.0995607500000000 0.0976801000000000 0.2614967200000000 0.1098350200000000 0.9055124900000000 0.7463269900000000 0.3133380400000000 0.5284804500000000 0.2842978300000000 0.0799156000000000 0.0979654800000000 0.4713842800000000 0.4498474700000000 0.0314862700000000 0.4380081000000000 0.0799156000000000 0.4020345200000000 0.9713842800000000 0.1454519000000000 0.0085834300000000 0.6005740300000000 0.5501525300000000 0.5314862700000000 0.0619919000000000 0.2897223300000000 0.4849277700000000 0.7785075900000000 0.0966156700000000 0.9215534800000000 0.0211343800000000 0.4923909700000000 0.4933470700000000 0.8226496800000000vasp-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 4 1 0.000 0.000 0.000