# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/879d2540-bb7e-4406-8779-f0018bb81803/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 LiSn2(PO4)3 / P2_1/c (14) / materials id 26702](https://mdr.nims.go.jp/datasets/9b69d068-f07a-463f-8cc7-5d869ec574c1)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 8Li 7.01000000 3.00000000 PAW_PBE Li_sv 10Sep2004 96O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 24P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 16Sn 118.71000000 14.00000000 PAW_PBE Sn_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 Sn 1.0 8.4955737800000009 0.0000000000000000 -0.0087381900000000 0.0000000000000000 8.7460008699999996 0.0000000000000000 -8.3445647600000008 0.0000000000000000 12.1131085600000006 Li O P Sn 4 48 12 8Direct 0.2695452700000000 0.9059142400000000 0.1947666500000000 0.7304547299999999 0.4059142400000000 0.3052333500000000 0.2695452700000000 0.5940857600000000 0.6947666500000000 0.7304547299999999 0.0940857600000000 0.8052333500000000 0.9850849699999999 0.1254498900000000 0.9355449000000000 0.7418643800000000 0.4205824300000000 0.6849919500000000 0.4574494400000000 0.1076523400000000 0.3945612200000000 0.1610407100000000 0.3113330700000000 0.0989833700000000 0.1693089100000000 0.6345603200000001 0.0819868100000000 0.8661343000000000 0.9946855200000000 0.7484352800000000 0.4557439100000000 0.7903934699999999 0.3233188300000000 0.6117747000000000 0.5873909800000000 0.4696512200000000 0.8360218800000000 0.7237356800000000 0.6849020699999999 0.1355525800000000 0.8257943900000000 0.9462563500000000 0.7840991100000000 0.9388425900000000 0.5581127699999999 0.5045137100000000 0.5198572800000000 0.2762288800000000 0.4954862900000000 0.0198572800000000 0.2237711200000000 0.2159008900000000 0.4388425900000000 0.9418872300000000 0.8644474200000000 0.3257943900000000 0.5537436499999999 0.1639781200000000 0.2237356800000000 0.8150979300000000 0.3882253000000000 0.0873909800000000 0.0303487800000000 0.5442560900000000 0.2903934700000000 0.1766811700000000 0.1338657000000000 0.4946855200000000 0.7515647200000000 0.8306910900000000 0.1345603200000000 0.4180131900000000 0.8389592900000000 0.8113330700000000 0.4010166300000000 0.5425505600000000 0.6076523400000000 0.1054387800000000 0.2581356200000000 0.9205824300000000 0.8150080500000000 0.0149150300000000 0.6254498900000001 0.5644551000000000 0.9850849699999999 0.3745501100000000 0.4355449000000000 0.7418643800000000 0.0794175700000000 0.1849919500000000 0.4574494400000000 0.3923476600000000 0.8945612200000000 0.1610407100000000 0.1886669300000000 0.5989833700000000 0.1693089100000000 0.8654396799999999 0.5819868100000001 0.8661343000000000 0.5053144800000000 0.2484352800000000 0.4557439100000000 0.7096065300000001 0.8233188300000001 0.6117747000000000 0.9126090200000000 0.9696512200000000 0.8360218800000000 0.7762643200000000 0.1849020700000000 0.1355525800000000 0.6742056100000000 0.4462563500000000 0.7840991100000000 0.5611574100000001 0.0581127700000000 0.5045137100000000 0.9801427200000000 0.7762288800000000 0.4954862900000000 0.4801427200000000 0.7237711200000000 0.2159008900000000 0.0611574100000000 0.4418872300000000 0.8644474200000000 0.1742056100000000 0.0537436500000000 0.1639781200000000 0.2762643200000000 0.3150979300000000 0.3882253000000000 0.4126090200000000 0.5303487800000000 0.5442560900000000 0.2096065300000000 0.6766811699999999 0.1338657000000000 0.0053144800000000 0.2515647200000000 0.8306910900000000 0.3654396800000000 0.9180131900000000 0.8389592900000000 0.6886669300000000 0.9010166300000000 0.5425505600000000 0.8923476600000000 0.6054387800000001 0.2581356200000000 0.5794175699999999 0.3150080500000000 0.0149150300000000 0.8745501099999999 0.0644551000000000 0.0333948100000000 0.7527260600000000 0.9940306300000000 0.7548527100000000 0.8859081400000000 0.6471884299999999 0.4601465300000000 0.6166343500000000 0.3479453700000000 0.5398534699999999 0.1166343500000000 0.1520546300000000 0.2451472900000000 0.3859081400000000 0.8528115700000000 0.9666051900000000 0.2527260600000000 0.5059693700000000 0.0333948100000000 0.7472739400000000 0.4940306300000000 0.7548527100000000 0.6140918600000000 0.1471884300000000 0.4601465300000000 0.8833656500000000 0.8479453700000000 0.5398534699999999 0.3833656500000000 0.6520546300000001 0.2451472900000000 0.1140918600000000 0.3528115700000000 0.9666051900000000 0.2472739400000000 0.0059693700000000 0.3490037500000000 0.4670692100000000 0.1058583500000000 0.8569574300000000 0.5306960100000000 0.6163855800000000 0.6509962499999999 0.9670692100000000 0.3941416500000000 0.1430425700000000 0.0306960100000000 0.8836144200000000 0.8569574300000000 0.9693039900000000 0.1163855800000000 0.3490037500000000 0.0329307900000000 0.6058583500000000 0.1430425700000000 0.4693039900000000 0.3836144200000000 0.6509962499999999 0.5329307900000000 0.8941416500000000vasp-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