# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/a1707c44-b6ab-45f2-9bff-e76f1cfcedf4/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 Li3Sn2(PO4)3 / P2_1/c (14) / materials id 26701](https://mdr.nims.go.jp/datasets/d8d91288-bcee-4b6b-8221-246725169f23)
## 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 8Sn 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 8.6094189100000005 0.0000000000000000 0.0388036000000000 0.0000000000000000 8.7989325699999998 0.0000000000000000 -8.1961501099999996 0.0000000000000000 12.9053925100000004 Li O P Sn 12 48 12 8Direct 0.6033907800000000 0.1101722300000000 0.6877984900000000 0.6003180699999999 0.7258964500000000 0.7481776900000000 0.9796312800000000 0.7744901600000000 0.1634456200000000 0.0203687200000000 0.2744901600000000 0.3365543800000000 0.3996819300000000 0.2258964500000000 0.7518223100000000 0.3966092200000000 0.6101722300000000 0.8122015100000000 0.6033907800000000 0.3898277700000000 0.1877984900000000 0.6003180699999999 0.7741035500000000 0.2481776900000000 0.9796312800000000 0.7255098400000000 0.6634456200000001 0.0203687200000000 0.2255098400000000 0.8365543799999999 0.3996819300000000 0.2741035500000000 0.2518223100000000 0.3966092200000000 0.8898277700000000 0.3122015100000000 0.4072605500000000 0.8712668400000000 0.4434961600000000 0.8013053300000000 0.8464239900000000 0.8540795300000000 0.5599642000000000 0.7174522600000000 0.6116144200000000 0.0920608500000000 0.5532330700000000 0.1637322100000000 0.4597428900000000 0.3755968600000000 0.5526809800000000 0.1661419800000000 0.0082081400000000 0.2761533800000000 0.6580731600000000 0.2648305600000000 0.7871557800000000 0.8339227100000000 0.3682048400000000 0.9684371700000000 0.9215735200000000 0.9823614300000000 0.0952124000000000 0.6082827100000000 0.5392570400000001 0.8164048900000000 0.2482438000000000 0.1623342900000000 0.4515002700000000 0.9646693500000000 0.2426354300000000 0.1857933000000000 0.0353306500000000 0.7426354300000000 0.3142067000000000 0.3917172900000000 0.0392570400000000 0.6835951100000000 0.7517562000000000 0.6623342900000000 0.0484997300000000 0.0784264800000000 0.4823614300000000 0.4047876000000000 0.1660772900000000 0.8682048400000000 0.5315628299999999 0.3419268400000000 0.7648305600000000 0.7128442200000000 0.8338580200000000 0.5082081400000000 0.2238466200000000 0.5402571100000000 0.8755968600000000 0.9473190200000000 0.4400358000000000 0.2174522600000000 0.8883855800000000 0.9079391500000000 0.0532330700000000 0.3362677900000000 0.1986946700000000 0.3464239900000000 0.6459204700000001 0.5927394500000001 0.3712668400000000 0.0565038400000000 0.4072605500000000 0.6287331600000000 0.9434961600000000 0.8013053300000000 0.6535760100000000 0.3540795300000000 0.0920608500000000 0.9467669300000000 0.6637322100000000 0.5599642000000000 0.7825477400000000 0.1116144200000000 0.4597428900000000 0.1244031400000000 0.0526809800000000 0.1661419800000000 0.4917918600000000 0.7761533800000000 0.6580731600000000 0.2351694400000000 0.2871557800000000 0.8339227100000000 0.1317951600000000 0.4684371700000000 0.9215735200000000 0.5176385700000000 0.5952124000000000 0.2482438000000000 0.3376657100000000 0.9515002700000000 0.6082827100000000 0.9607429600000000 0.3164048900000000 0.9646693500000000 0.2573645700000000 0.6857933000000001 0.0353306500000000 0.7573645700000000 0.8142066999999999 0.7517562000000000 0.8376657100000000 0.5484997300000001 0.3917172900000000 0.4607429600000000 0.1835951100000000 0.0784264800000000 0.0176385700000000 0.9047876000000000 0.1660772900000000 0.6317951600000000 0.0315628300000000 0.3419268400000000 0.7351694400000000 0.2128442200000000 0.8338580200000000 0.9917918600000000 0.7238466200000000 0.5402571100000000 0.6244031400000001 0.4473190200000000 0.9079391500000000 0.4467669300000000 0.8362677900000000 0.4400358000000000 0.2825477400000000 0.3883855800000000 0.1986946700000000 0.1535760100000000 0.1459204700000000 0.5927394500000001 0.1287331600000000 0.5565038400000000 0.4347071000000000 0.2411481400000000 0.4828861200000000 0.7436836900000000 0.4088924500000000 0.8503460700000001 0.0600888000000000 0.0994972800000000 0.1727749900000000 0.2563163100000000 0.9088924500000000 0.6496539299999999 0.9399112000000001 0.5994972800000000 0.3272250100000000 0.5652929000000000 0.7411481400000000 0.0171138800000000 0.4347071000000000 0.2588518600000000 0.9828861200000000 0.0600888000000000 0.4005027200000000 0.6727749900000000 0.7436836900000000 0.0911075500000000 0.3503460700000000 0.9399112000000001 0.9005027200000000 0.8272250100000000 0.2563163100000000 0.5911075500000000 0.1496539300000000 0.5652929000000000 0.7588518600000000 0.5171138800000000 0.7038432500000000 0.0329350200000000 0.9289675200000000 0.1524788100000000 0.9433024800000001 0.4034053900000000 0.8475211900000000 0.4433024800000000 0.0965946100000000 0.2961567500000000 0.5329350200000000 0.5710324800000000 0.7038432500000000 0.4670649800000000 0.4289675200000000 0.1524788100000000 0.5566975199999999 0.9034053900000000 0.8475211900000000 0.0566975200000000 0.5965946100000000 0.2961567500000000 0.9670649800000000 0.0710324800000000vasp-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