# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/9999dea9-63a2-41d9-b0bb-d1c81564eacc/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 Li2Ti3Sn(PO4)6 / R3 (146) / materials id 772416](https://mdr.nims.go.jp/datasets/857e19c1-0162-4322-a9de-f3e03be00a22)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 3 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 6Li 7.01000000 3.00000000 PAW_PBE Li_sv 10Sep2004 9Ti 47.88000000 10.00000000 PAW_PBE Ti_pv 07Sep2000 3Sn 118.71000000 14.00000000 PAW_PBE Sn_d 06Sep2000 18P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 72O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 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 Ti Sn P O 1.0 8.5857614400000006 0.0000000000000000 0.0000000000000000 -4.2928807200000003 7.4354875099999997 0.0000000000000000 0.0000000000000000 0.0000000000000000 20.9349857300000011 Li Ti Sn P O 6 9 3 18 72Direct 0.0000000000000000 0.0000000000000000 0.0047959300000000 0.3333333300000000 0.6666666700000000 0.1675197100000000 0.6666666700000000 0.3333333300000000 0.3381292600000000 0.0000000000000000 0.0000000000000000 0.5008530400000000 0.3333333300000000 0.6666666700000000 0.6714626000000000 0.6666666700000000 0.3333333300000000 0.8341863800000000 0.0000000000000000 0.0000000000000000 0.1410978200000000 0.3333333300000000 0.6666666700000000 0.0247876300000000 0.3333333300000000 0.6666666700000000 0.3079435200000000 0.6666666700000000 0.3333333300000000 0.4744311500000000 0.0000000000000000 0.0000000000000000 0.3581209700000000 0.0000000000000000 0.0000000000000000 0.6412768500000000 0.3333333300000000 0.6666666700000000 0.8077644800000000 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0.8113288000000000 0.6463746900000000 0.4976170100000000 0.9124325200000000 0.8058089600000000 0.8357911400000000 0.9237342300000000 0.8512423300000000 0.3536253100000000 0.9124325200000000 0.1439011400000000 0.4800757500000000 0.8559142100000000 0.8141111599999999 0.9988517500000000 0.6906203600000000 0.0299821800000000 0.1941910400000000 0.9237342300000000 0.0011482500000000 0.8152594100000000 0.6906203600000000 0.1847405900000000 0.1858888400000000 0.6906203600000000vasp-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 3 1 0.000 0.000 0.000