# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/b430ae86-042b-4913-aac3-6d9cf4a51c68/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 Na5Li3(TiS4)2 / C2/c (15) / materials id 554395](https://mdr.nims.go.jp/datasets/b8bf51db-4d91-4ac4-8c91-dc46fcf4dc78)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 1 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 40Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 24Li 7.01000000 3.00000000 PAW_PBE Li_sv 10Sep2004 16Ti 47.88000000 10.00000000 PAW_PBE Ti_pv 07Sep2000 64S 32.06600000 6.00000000 PAW_PBE S 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 Na Li Ti S 1.0 17.4711190700000003 0.0000000000000000 0.0307146800000000 0.0000000000000000 9.6148333600000004 0.0000000000000000 -8.2393352300000000 0.0000000000000000 8.6830094800000008 Na Li Ti S 20 12 8 32Direct 0.5986741900000000 0.9873191200000000 0.7323677200000001 0.5000000000000000 0.4931857500000000 0.2500000000000000 0.3513013900000000 0.2534727600000000 0.4800292600000000 0.6486986100000001 0.7465272400000000 0.5199707400000000 0.4013258100000000 0.0126808800000000 0.2676322800000000 0.5000000000000000 0.5068142500000000 0.7500000000000000 0.8513013899999999 0.2465272400000000 0.9800292600000000 0.1486986100000000 0.7534727600000000 0.0199707400000000 0.5986741900000000 0.0126808800000000 0.2323677200000000 0.4013258100000000 0.9873191200000000 0.7676322799999999 0.0986741900000000 0.4873191200000000 0.7323677200000001 0.0000000000000000 0.9931857500000000 0.2500000000000000 0.8513013899999999 0.7534727600000000 0.4800292600000000 0.1486986100000000 0.2465272400000000 0.5199707400000000 0.9013258100000000 0.5126808800000000 0.2676322800000000 0.0000000000000000 0.0068142500000000 0.7500000000000000 0.3513013900000000 0.7465272400000000 0.9800292600000000 0.6486986100000001 0.2534727600000000 0.0199707400000000 0.0986741900000000 0.5126808800000000 0.2323677200000000 0.9013258100000000 0.4873191200000000 0.7676322799999999 0.6918322299999999 0.5009015000000000 0.7592244800000000 0.8081677700000001 0.0009015000000000 0.7407755200000000 0.1918322300000000 0.9990985000000000 0.2592244800000000 0.7500000000000000 0.7500000000000000 0.0000000000000000 0.2500000000000000 0.7500000000000000 0.5000000000000000 0.3081677700000000 0.4990985000000000 0.2407755200000000 0.1918322300000000 0.0009015000000000 0.7592244800000000 0.3081677700000000 0.5009015000000000 0.7407755200000000 0.6918322299999999 0.4990985000000000 0.2592244800000000 0.2500000000000000 0.2500000000000000 0.0000000000000000 0.7500000000000000 0.2500000000000000 0.5000000000000000 0.8081677700000001 0.9990985000000000 0.2407755200000000 0.4160956400000000 0.7345462400000000 0.4679164800000000 0.5839043600000000 0.2654537600000000 0.5320835200000000 0.9160956400000000 0.7654537600000000 0.9679164800000000 0.0839043600000000 0.2345462400000000 0.0320835200000000 0.9160956400000000 0.2345462400000000 0.4679164800000000 0.0839043600000000 0.7654537600000000 0.5320835200000000 0.4160956400000000 0.2654537600000000 0.9679164800000000 0.5839043600000000 0.7345462400000000 0.0320835200000000 0.1296457000000000 0.4454114600000000 0.0079049600000000 0.5864786100000000 0.2961668300000000 0.1796203200000000 0.8703543000000000 0.5545885400000000 0.9920950400000000 0.1799575000000000 0.0618631600000000 0.0516077200000000 0.6136098100000000 0.2807742800000000 0.7486660500000000 0.3703543000000000 0.9454114600000000 0.4920950400000000 0.8200425000000000 0.9381368400000000 0.9483922800000000 0.4135213900000000 0.2961668300000000 0.3203796800000000 0.3863901900000000 0.2807742800000000 0.7513339500000000 0.6136098100000000 0.7192257200000001 0.2486660500000000 0.6799575000000000 0.4381368400000000 0.5516077200000000 0.3200425000000000 0.5618631599999999 0.4483922800000000 0.4135213900000000 0.7038331700000000 0.8203796800000001 0.5864786100000000 0.7038331700000000 0.6796203199999999 0.6296457000000000 0.0545885400000000 0.5079049600000001 0.3863901900000000 0.7192257200000001 0.2513339500000000 0.6296457000000000 0.9454114600000000 0.0079049600000000 0.0864786100000000 0.7961668300000000 0.1796203200000000 0.3703543000000000 0.0545885400000000 0.9920950400000000 0.6799575000000000 0.5618631599999999 0.0516077200000000 0.1136098100000000 0.7807742799999999 0.7486660500000000 0.8703543000000000 0.4454114600000000 0.4920950400000000 0.3200425000000000 0.4381368400000000 0.9483922800000000 0.9135213900000000 0.7961668300000000 0.3203796800000000 0.8863901900000000 0.7807742799999999 0.7513339500000000 0.1136098100000000 0.2192257200000000 0.2486660500000000 0.1799575000000000 0.9381368400000000 0.5516077200000000 0.8200425000000000 0.0618631600000000 0.4483922800000000 0.9135213900000000 0.2038331700000000 0.8203796800000001 0.0864786100000000 0.2038331700000000 0.6796203199999999 0.1296457000000000 0.5545885400000000 0.5079049600000001 0.8863901900000000 0.2192257200000000 0.2513339500000000vasp-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 2 2 2 0.000 0.000 0.000