# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/679d3c4d-57d5-4589-8f76-9129fc618699/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 Y3Si3O10F / P2_1/c (14) / materials id 14630](https://mdr.nims.go.jp/datasets/e8755860-eff1-48df-bb3c-692931914d96)
## 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 24Y 88.90600000 11.00000000 PAW_PBE Y_sv 25May2007 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 Y 1.0 7.3150171200000003 0.0000000000000000 0.0009215100000000 0.0000000000000000 11.1222669199999995 0.0000000000000000 -6.0043341899999998 0.0000000000000000 10.2797077699999999 O F Si Y 40 4 12 12Direct 0.3461942800000000 0.9087720700000000 0.8712807400000000 0.6538057200000000 0.4087720700000000 0.6287192600000000 0.6538057200000000 0.0912279300000000 0.1287192600000000 0.3461942800000000 0.5912279300000001 0.3712807400000000 0.8973659400000000 0.5207404600000001 0.8623401300000000 0.1026340600000000 0.0207404600000000 0.6376598700000000 0.1026340600000000 0.4792595400000000 0.1376598700000000 0.8973659400000000 0.9792595400000000 0.3623401300000000 0.5039668899999998 0.8960239500000000 0.1922752600000000 0.4960331100000000 0.3960239500000000 0.3077247400000000 0.4960331100000000 0.1039760500000000 0.8077247400000001 0.5039668899999998 0.6039760500000000 0.6922752599999999 0.8024863300000000 0.6068617400000000 0.6216639500000001 0.1975136700000000 0.1068617400000000 0.8783360500000000 0.1975136700000000 0.3931382600000000 0.3783360500000000 0.8024863300000000 0.8931382600000000 0.1216639500000000 0.4848299500000000 0.6443114900000000 0.1965782800000000 0.1051562100000000 0.7258661700000000 0.6196301200000001 0.8948437900000000 0.2741338300000000 0.3803698800000000 0.1051562100000000 0.7741338300000000 0.1196301200000000 0.7130202500000000 0.8201761500000000 0.4821273800000000 0.2869797500000000 0.3201761500000000 0.0178726200000000 0.2869797500000000 0.1798238500000000 0.5178726200000000 0.7130202500000000 0.6798238500000000 0.9821273800000000 0.8875530800000000 0.8213596800000000 0.7324177100000000 0.1124469200000000 0.3213596800000000 0.7675822900000000 0.1124469200000000 0.1786403200000000 0.2675822900000000 0.8875530800000000 0.6786403200000000 0.2324177100000000 0.3509067600000000 0.9752895700000001 0.3633384200000000 0.6490932400000000 0.4752895700000000 0.1366615800000000 0.6490932400000000 0.0247104300000000 0.6366615799999999 0.3509067600000000 0.5247104299999998 0.8633384200000001 0.8508746700000001 0.9494554100000000 0.8934072700000000 0.1491253300000000 0.4494554100000000 0.6065927300000000 0.1491253300000000 0.0505445900000000 0.1065927300000000 0.8508746700000001 0.5505445900000000 0.3934072700000000 0.4848299500000000 0.8556885100000000 0.6965782800000000 0.5151700500000000 0.3556885100000000 0.8034217200000000 0.5151700500000000 0.1443114900000000 0.3034217200000000 0.8948437900000000 0.2258661700000000 0.8803698799999999 0.7565702000000000 0.2855328600000000 0.0604272800000000 0.2434298000000000 0.7855328600000000 0.4395727200000000 0.7565702000000000 0.2144671400000000 0.5604272800000001 0.2434298000000000 0.7144671400000000 0.9395727200000000 0.7134183700000001 0.5360324599999999 0.7085830100000000 0.1222337300000000 0.2442416200000000 0.8898137100000000 0.1222337300000000 0.2557583800000000 0.3898137100000000 0.8777662700000000 0.7557583800000001 0.1101862900000000 0.7150407700000000 0.5866896300000000 0.2410073700000000 0.2849592300000000 0.0866896300000000 0.2589926300000000 0.2849592300000000 0.4133103700000000 0.7589926300000001 0.7150407700000000 0.9133103700000000 0.7410073699999999 0.7134183700000001 0.9639675400000000 0.2085830100000000 0.2865816300000000 0.4639675400000000 0.2914169900000000 0.8777662700000000 0.7442416199999999 0.6101862900000000 0.2865816300000000 0.0360324600000000 0.7914169900000000 0.2558927000000000 0.5314639900000000 0.0185446100000000 0.7441073000000000 0.0314639900000000 0.4814553900000000 0.7441073000000000 0.4685360100000000 0.9814553900000000 0.2558927000000000 0.9685360100000000 0.5185446100000000 0.4042245600000000 0.7722720900000000 0.3112961000000000 0.5957754399999999 0.2722720900000000 0.1887039000000000 0.5957754399999999 0.2277279100000000 0.6887038999999999 0.4042245600000000 0.7277279100000000 0.8112961000000000 0.1945870800000000 0.9019198400000000 0.9957547200000000 0.8054129200000000 0.4019198400000000 0.5042452800000000 0.8054129200000000 0.0980801600000000 0.0042452800000000 0.1945870800000000 0.5980801600000001 0.4957547200000000vasp-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