# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/c833c82b-8cc9-4fc5-87be-e586ab0b100b/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 27094](https://mdr.nims.go.jp/datasets/78d7969a-c550-4993-b5d9-5754dc7cfff1)
## 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 8.4938650199999994 0.0000000000000000 0.0206702700000000 0.0000000000000000 8.7635787599999997 0.0000000000000000 -8.3598208300000003 0.0000000000000000 12.0603050599999992 Li O P Sn 4 48 12 8Direct 0.9901298900000000 0.7899909300000000 0.1759266500000000 0.0098701100000000 0.2899909300000000 0.3240733500000000 0.9901298900000000 0.7100090700000000 0.6759266500000001 0.0098701100000000 0.2100090700000000 0.8240733500000000 0.8073120000000000 0.8736853700000000 0.8762069200000000 0.3956653600000000 0.8749271400000000 0.4384871400000000 0.5266679500000000 0.6904936600000000 0.6010121700000000 0.1022166900000000 0.5875129400000000 0.1764023500000000 0.4886855600000000 0.3758136000000000 0.5740078100000000 0.7134721500000001 0.2053849800000000 0.8256443800000000 0.8400134000000000 0.4075995300000000 0.9731567000000000 0.0966209900000000 0.9921567400000000 0.2374146600000000 0.0106705800000000 0.2682509500000000 0.1871399500000000 0.2538100800000000 0.1831360700000000 0.4365242700000000 0.5713616000000000 0.4792185000000000 0.7806853900000000 0.8463528200000000 0.0566808800000000 0.0449889700000000 0.1536471800000000 0.5566808800000000 0.4550110300000000 0.4286384000000000 0.9792185000000000 0.7193146100000001 0.7461899200000000 0.6831360700000000 0.0634757300000000 0.9893294200000000 0.7682509500000000 0.3128600500000000 0.9033790100000000 0.4921567400000000 0.2625853400000000 0.1599866000000000 0.9075995300000000 0.5268433000000000 0.2865278500000000 0.7053849800000001 0.6743556200000000 0.5113144400000000 0.8758136000000000 0.9259921900000000 0.8977833100000000 0.0875129400000000 0.3235976500000000 0.4733320500000000 0.1904936600000000 0.8989878300000000 0.1926880000000000 0.3736853700000000 0.6237930800000000 0.6043346400000000 0.3749271400000000 0.0615128600000000 0.3956653600000000 0.6250728600000000 0.9384871400000000 0.8073120000000000 0.6263146300000000 0.3762069200000000 0.5266679500000000 0.8095063400000000 0.1010121700000000 0.1022166900000000 0.9124870600000000 0.6764023500000000 0.4886855600000000 0.1241864000000000 0.0740078100000000 0.7134721500000001 0.2946150200000000 0.3256443800000000 0.8400134000000000 0.0924004700000000 0.4731567000000000 0.0966209900000000 0.5078432600000000 0.7374146600000000 0.0106705800000000 0.2317490500000000 0.6871399499999999 0.2538100800000000 0.3168639300000000 0.9365242700000000 0.5713616000000000 0.0207815000000000 0.2806853900000000 0.8463528200000000 0.4433191200000000 0.5449889700000000 0.1536471800000000 0.9433191200000000 0.9550110300000000 0.4286384000000000 0.5207815000000000 0.2193146100000000 0.7461899200000000 0.8168639300000000 0.5634757300000000 0.9893294200000000 0.7317490500000000 0.8128600500000001 0.9033790100000000 0.0078432600000000 0.7625853400000000 0.1599866000000000 0.5924004700000001 0.0268433000000000 0.2865278500000000 0.7946150199999999 0.1743556200000000 0.5113144400000000 0.6241863999999999 0.4259921900000000 0.8977833100000000 0.4124870600000000 0.8235976500000000 0.4733320500000000 0.3095063400000000 0.3989878300000000 0.6043346400000000 0.1250728600000000 0.5615128600000000 0.1926880000000000 0.1263146300000000 0.1237930800000000 0.4591448400000000 0.2514069900000000 0.4928975800000000 0.7477657500000000 0.3783352100000000 0.8499695100000000 0.0370507500000000 0.1131038400000000 0.1459964600000000 0.9629492500000000 0.6131038400000000 0.3540035400000000 0.2522342500000000 0.8783352100000000 0.6500304900000000 0.5408551600000000 0.7514069900000000 0.0071024200000000 0.4591448400000000 0.2485930100000000 0.9928975799999999 0.7477657500000000 0.1216647900000000 0.3499695100000000 0.0370507500000000 0.3868961600000000 0.6459964600000000 0.9629492500000000 0.8868961600000000 0.8540035400000000 0.2522342500000000 0.6216647900000001 0.1500304900000000 0.5408551600000000 0.7485930100000000 0.5071024200000001 0.3694112900000000 0.5303351800000000 0.6189412500000000 0.6305887100000001 0.0303351800000000 0.8810587500000000 0.1446312200000000 0.9652006600000000 0.3906140900000000 0.8553687800000001 0.4652006600000000 0.1093859100000000 0.1446312200000000 0.5347993400000000 0.8906140900000000 0.8553687800000001 0.0347993400000000 0.6093859100000000 0.3694112900000000 0.9696648200000000 0.1189412500000000 0.6305887100000001 0.4696648200000000 0.3810587500000000vasp-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