# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/0dd20ef4-f4fc-4ec3-92c3-e77b964d01e6/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 Ho3Si3O10F / P2_1/c (14) / materials id 16165](https://mdr.nims.go.jp/datasets/d1139ee2-4698-46ad-8cf9-5271e936071e)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 80O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 8F 18.99800000 7.00000000 PAW_PBE F 08Apr2002 24Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 24Ho 164.93000000 9.00000000 PAW_PBE Ho_3 06Sep2000 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 O F Si Ho 1.0 7.2855308900000004 0.0000000000000000 -0.0000171100000000 0.0000000000000000 11.0654203500000001 0.0000000000000000 -5.9742465899999999 0.0000000000000000 10.2351990799999992 O F Si Ho 40 4 12 12Direct 0.3467550100000000 0.9072466299999999 0.8715431300000001 0.6532449900000000 0.4072466300000000 0.6284568699999999 0.6532449900000000 0.0927533700000000 0.1284568700000000 0.3467550100000000 0.5927533700000001 0.3715431300000000 0.8986897700000001 0.5203181299999999 0.8628334200000000 0.1013102300000000 0.0203181300000000 0.6371665799999999 0.1013102300000000 0.4796818700000000 0.1371665800000000 0.8986897700000001 0.9796818700000000 0.3628334200000000 0.5031661700000001 0.8961900000000000 0.1919695800000000 0.4968338300000000 0.3961900000000000 0.3080304200000000 0.4968338300000000 0.1038100000000000 0.8080304200000000 0.5031661700000001 0.6038100000000000 0.6919695800000000 0.8021510199999999 0.6051943100000000 0.6202496000000000 0.1978489800000000 0.1051943100000000 0.8797504000000000 0.1978489800000000 0.3948056900000000 0.3797504000000000 0.8021510199999999 0.8948056900000000 0.1202496000000000 0.4829386600000000 0.6448088300000000 0.1964448500000000 0.1056756200000000 0.7249929100000000 0.6186780700000001 0.8943243800000000 0.2750070900000000 0.3813219300000000 0.1056756200000000 0.7750070900000000 0.1186780700000000 0.7125467100000000 0.8206115500000000 0.4810829200000000 0.2874532900000000 0.3206115500000000 0.0189170800000000 0.2874532900000000 0.1793884500000000 0.5189170800000000 0.7125467100000000 0.6793884500000000 0.9810829200000000 0.8873135400000000 0.8201011800000000 0.7323382199999999 0.1126864600000000 0.3201011800000000 0.7676617800000000 0.1126864600000000 0.1798988200000000 0.2676617800000000 0.8873135400000000 0.6798988200000000 0.2323382200000000 0.3519259000000000 0.9756011700000000 0.3638584900000000 0.6480741000000000 0.4756011700000000 0.1361415100000000 0.6480741000000000 0.0243988300000000 0.6361415100000001 0.3519259000000000 0.5243988300000000 0.8638584900000000 0.8510710300000000 0.9489265200000000 0.8940364500000000 0.1489289700000000 0.4489265200000000 0.6059635500000000 0.1489289700000000 0.0510734800000000 0.1059635500000000 0.8510710300000000 0.5510734800000000 0.3940364500000000 0.4829386600000000 0.8551911700000000 0.6964448500000000 0.5170613399999999 0.3551911700000000 0.8035551500000000 0.5170613399999999 0.1448088300000000 0.3035551500000000 0.8943243800000000 0.2249929100000000 0.8813219300000000 0.7573681999999999 0.2861110000000000 0.0606890500000000 0.2426318000000000 0.7861110000000000 0.4393109500000000 0.7573681999999999 0.2138890000000000 0.5606890500000000 0.2426318000000000 0.7138890000000000 0.9393109500000000 0.7132320400000001 0.5351258900000000 0.7085211600000000 0.1226008300000000 0.2435029500000000 0.8909278800000000 0.1226008300000000 0.2564970500000000 0.3909278800000000 0.8773991700000000 0.7564970500000000 0.1090721200000000 0.7144001799999999 0.5874445300000000 0.2411284300000000 0.2855998200000000 0.0874445300000000 0.2588715700000000 0.2855998200000000 0.4125554700000000 0.7588715699999999 0.7144001799999999 0.9125554700000000 0.7411284300000001 0.7132320400000001 0.9648741100000000 0.2085211600000000 0.2867679600000000 0.4648741100000000 0.2914788400000000 0.8773991700000000 0.7435029500000000 0.6090721200000000 0.2867679600000000 0.0351258900000000 0.7914788400000000 0.2562914000000000 0.5312976000000000 0.0188224100000000 0.7437085999999999 0.0312976000000000 0.4811775900000000 0.7437085999999999 0.4687024000000000 0.9811775900000000 0.2562914000000000 0.9687024000000000 0.5188224100000001 0.4027432700000000 0.7732942800000000 0.3110585400000000 0.5972567300000000 0.2732942800000000 0.1889414600000000 0.5972567300000000 0.2267057200000000 0.6889414600000000 0.4027432700000000 0.7267057200000000 0.8110585400000000 0.1945211400000000 0.9019094900000000 0.9956389500000000 0.8054788600000000 0.4019094900000000 0.5043610500000000 0.8054788600000000 0.0980905100000000 0.0043610500000000 0.1945211400000000 0.5980905100000000 0.4956389500000000vasp-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 3 2 2 0.000 0.000 0.000