# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/b912f1e8-6ba3-4a3d-afe0-438bb32ca525/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 LiCuS / Pbcn (60) / materials id 766467](https://mdr.nims.go.jp/datasets/ec62b05f-c650-4786-99df-18a340aa6e35)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 48Li 7.01000000 3.00000000 PAW_PBE Li_sv 10Sep2004 48Cu 63.54600000 17.00000000 PAW_PBE Cu_pv 06Sep2000 48S 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 Li Cu S 1.0 12.1002983600000000 0.0000000000000000 0.0000006500000000 0.0000000000000000 5.1803504900000004 0.0000000000000000 0.0000008600000000 0.0000000000000000 15.5499710800000006 Li Cu S 24 24 24Direct 0.9216059500000000 0.2500026000000000 0.1666908600000000 0.9216059500000000 0.7499974000000000 0.6666908600000000 0.9216135700000000 0.7500006800000000 0.3333699500000000 0.9216135700000000 0.2499993200000000 0.8333699500000000 0.9216098300000000 0.7500077900000000 0.0000140000000000 0.9216098300000000 0.2499922100000000 0.5000140000000000 0.5783901499999999 0.2500078700000000 0.0000140200000000 0.5783901499999999 0.7499921300000000 0.5000140199999998 0.5783864100000000 0.2500007700000000 0.3333699600000000 0.5783864100000000 0.7499992300000000 0.8333699600000000 0.5783940400000001 0.7500025800000000 0.1666908800000000 0.5783940400000001 0.2499974200000000 0.6666908800000000 0.4216059600000000 0.2499974200000000 0.8333091200000000 0.4216059600000000 0.7500025800000000 0.3333091200000000 0.4216135900000000 0.2500007700000000 0.1666300400000000 0.4216135900000000 0.7499992300000000 0.6666300400000000 0.4216098500000000 0.7499921300000000 0.9999859800000001 0.4216098500000000 0.2500078700000000 0.4999859800000000 0.0783901700000000 0.7500077900000000 0.4999860000000000 0.0783901700000000 0.2499922100000000 0.9999860000000000 0.0783864300000000 0.2499993200000000 0.6666300500000000 0.0783864300000000 0.7500006800000000 0.1666300500000000 0.0783940500000000 0.2500026000000000 0.3333091400000000 0.0783940500000000 0.7499974000000000 0.8333091400000000 0.7500009000000000 0.4999925500000000 0.0833817100000000 0.7500009000000000 0.5000074500000000 0.5833817100000001 0.7500007100000000 0.4999958400000000 0.7500575600000000 0.7500007100000000 0.5000041600000000 0.2500575600000000 0.7499961399999999 0.9999958700000000 0.4167238500000000 0.7499961399999999 0.0000041300000000 0.9167238500000000 0.7500038700000000 0.4999958700000000 0.4167238700000000 0.7500038700000000 0.5000041300000000 0.9167238700000000 0.7499993000000000 0.0000041400000000 0.2500575400000000 0.7499993000000000 0.9999958600000000 0.7500575400000000 0.7499990999999999 0.9999925600000000 0.0833816700000000 0.7499990999999999 0.0000074400000000 0.5833816700000001 0.2500009000000000 0.0000074400000000 0.9166183300000000 0.2500009000000000 0.9999925600000000 0.4166183300000000 0.2500007000000000 0.9999958600000000 0.7499424600000000 0.2500007000000000 0.0000041400000000 0.2499424600000000 0.2499961300000000 0.4999958700000000 0.0832761300000000 0.2499961300000000 0.5000041300000000 0.5832761300000000 0.2500038600000000 0.0000041300000000 0.5832761500000000 0.2500038600000000 0.9999958700000000 0.0832761500000000 0.2499992900000000 0.4999958400000000 0.7499424400000000 0.2499992900000000 0.5000041600000000 0.2499424400000000 0.2499991000000000 0.4999925500000000 0.4166182900000000 0.2499991000000000 0.5000074500000000 0.9166182899999999 0.8756151100000000 0.7500017100000000 0.8333684000000000 0.8756151100000000 0.2499982900000000 0.3333684000000000 0.8756099700000000 0.7500000400000000 0.1667001300000000 0.8756099700000000 0.2499999600000000 0.6667001299999999 0.8756203900000000 0.7499935200000001 0.5000321599999999 0.8756203900000000 0.2500064800000000 0.0000321600000000 0.6243796100000000 0.7500064700000000 0.0000321700000000 0.6243796100000000 0.2499935300000000 0.5000321700000000 0.6243900300000000 0.2499999700000000 0.1667001700000000 0.6243900300000000 0.7500000300000000 0.6667001699999999 0.6243849100000001 0.7499983299999999 0.3333684200000000 0.6243849100000001 0.2500016700000000 0.8333684200000000 0.3756150900000000 0.2500016700000000 0.6666315800000000 0.3756150900000000 0.7499983299999999 0.1666315800000000 0.3756099700000000 0.2499999700000000 0.3332998300000000 0.3756099700000000 0.7500000300000000 0.8332998300000000 0.3756203900000000 0.7500064700000000 0.4999678300000000 0.3756203900000000 0.2499935300000000 0.9999678300000000 0.1243796100000000 0.2500064800000000 0.4999678400000000 0.1243796100000000 0.7499935200000001 0.9999678400000001 0.1243900300000000 0.7500000400000000 0.3332998700000000 0.1243900300000000 0.2499999600000000 0.8332998700000001 0.1243848900000000 0.7500017100000000 0.6666316000000000 0.1243848900000000 0.2499982900000000 0.1666316000000000vasp-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 4 1 0.000 0.000 0.000