# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/bb818adf-e25b-49ec-a734-5d2b440b5cad/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 Li3In2(PO4)3 / P2_1/c (14) / materials id 14488](https://mdr.nims.go.jp/datasets/95f5be8a-7b6b-4c61-a055-634fa419c2ec)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 12Li 7.01000000 3.00000000 PAW_PBE Li_sv 10Sep2004 48O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 12P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 8In 114.82000000 13.00000000 PAW_PBE In_d 06Sep2000 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 648.744200 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 Li O P In 1.0 8.5795472900000007 0.0000000000000000 -0.0015118600000000 0.0000000000000000 8.9079689599999998 0.0000000000000000 -8.5882639699999999 0.0000000000000000 12.2613359099999997 Li O P In 12 48 12 8Direct 0.6430506600000000 0.7834704299999999 0.8200506700000000 0.3569493400000000 0.2834704300000000 0.6799493300000000 0.3569493400000000 0.2165295700000000 0.1799493300000000 0.6430506600000000 0.7165295700000001 0.3200506700000000 0.4132022500000000 0.0103667700000000 0.8483243600000000 0.5867977500000000 0.5103667700000001 0.6516756400000000 0.5867977500000000 0.9896332300000000 0.1516756400000000 0.4132022500000000 0.4896332300000000 0.3483243600000000 0.2316487200000000 0.0843617300000000 0.3156046100000000 0.7683512800000000 0.5843617300000000 0.1843953900000000 0.7683512800000000 0.9156382700000000 0.6843953899999999 0.2316487200000000 0.4156382700000000 0.8156046100000001 0.0666159900000000 0.2069777300000000 0.1837664700000000 0.9333840100000000 0.7069777300000000 0.3162335300000000 0.9333840100000000 0.7930222700000000 0.8162335300000000 0.0666159900000000 0.2930222700000000 0.6837664700000000 0.2549611100000000 0.0777765500000000 0.6953074800000000 0.7450388900000000 0.5777765500000001 0.8046925200000000 0.7450388900000000 0.9222234499999999 0.3046925200000000 0.2549611100000000 0.4222234500000000 0.1953074800000000 0.6500060200000000 0.1704948000000000 0.0993268900000000 0.3499939800000000 0.6704947999999999 0.4006731100000000 0.3499939800000000 0.8295052000000001 0.9006731100000001 0.6500060200000000 0.3295052000000000 0.5993268899999999 0.5104752100000001 0.8731264300000000 0.5520222900000000 0.4895247900000000 0.3731264300000000 0.9479777100000000 0.4895247900000000 0.1268735700000000 0.4479777100000000 0.5104752100000001 0.6268735700000000 0.0520222900000000 0.6345409900000001 0.9946173200000000 0.7497182700000000 0.3654590100000000 0.4946173200000000 0.7502817300000000 0.3654590100000000 0.0053826800000000 0.2502817300000000 0.6345409900000001 0.5053826800000000 0.2497182700000000 0.3706045000000000 0.7634289200000000 0.6945981500000000 0.6293955000000000 0.2634289200000000 0.8054018500000000 0.6293955000000000 0.2365710800000000 0.3054018500000000 0.3706045000000000 0.7365710800000000 0.1945981500000000 0.6876902100000000 0.0440450000000000 0.9273486200000000 0.3123097900000000 0.5440450000000000 0.5726513799999999 0.3123097900000000 0.9559550000000000 0.0726513800000000 0.6876902100000000 0.4559550000000000 0.4273486200000000 0.0087671900000000 0.9714601400000000 0.2787942200000000 0.9912328100000000 0.4714601400000000 0.2212057800000000 0.9912328100000000 0.0285398600000000 0.7212057800000000 0.0087671900000000 0.5285398600000000 0.7787942200000000 0.3639308400000000 0.1896353300000000 0.5607763500000000 0.6360691600000000 0.6896353300000000 0.9392236500000000 0.6360691600000000 0.8103646700000000 0.4392236500000000 0.3639308400000000 0.3103646700000000 0.0607763500000000 0.0565032800000000 0.8824591100000000 0.1005290000000000 0.9434967200000000 0.3824591100000000 0.3994710000000000 0.9434967200000000 0.1175408900000000 0.8994710000000000 0.0565032800000000 0.6175408900000000 0.6005290000000000 0.6728280200000001 0.8643637100000000 0.0829752200000000 0.3271719800000000 0.3643637100000000 0.4170247800000000 0.3271719800000000 0.1356362900000000 0.9170247800000000 0.6728280200000001 0.6356362900000000 0.5829752200000000 0.0891656100000000 0.8981715900000000 0.4649005300000000 0.9108343900000000 0.3981715900000000 0.0350994700000000 0.9108343900000000 0.1018284100000000 0.5350994700000000 0.0891656100000000 0.6018284100000000 0.9649005300000000 0.5365274099999999 0.7525667100000000 0.9911461900000000 0.4634725900000000 0.2525667100000000 0.5088538100000000 0.4634725900000000 0.2474332900000000 0.0088538100000000 0.5365274099999999 0.7474332900000000 0.4911461900000000 0.9521492000000000 0.8781520700000001 0.3422878100000000 0.0478508000000000 0.3781520700000000 0.1577121900000000 0.0478508000000000 0.1218479300000000 0.6577121900000000 0.9521492000000000 0.6218479299999999 0.8422878100000000 0.7298109699999999 0.1092101500000000 0.8462443500000000 0.2701890300000000 0.6092101500000000 0.6537556500000000 0.2701890300000000 0.8907898500000000 0.1537556500000000 0.7298109699999999 0.3907898500000000 0.3462443500000000 0.3438873800000000 0.9632484300000000 0.6032394300000000 0.6561126200000000 0.4632484300000000 0.8967605700000000 0.6561126200000000 0.0367515700000000 0.3967605700000000 0.3438873800000000 0.5367515700000001 0.1032394300000000 0.8649650200000000 0.0306313000000000 0.1019941900000000 0.1350349800000000 0.5306313000000000 0.3980058100000000 0.1350349800000000 0.9693687000000000 0.8980058100000000 0.8649650200000000 0.4693687000000000 0.6019941900000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 648.744200 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