# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/66790ee2-e8cd-41ae-93cf-c9027889ed81/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 LiDy(PO3)4 / C2/c (15) / materials id 6413](https://mdr.nims.go.jp/datasets/af2060bd-05cf-4689-8f0f-7dedfa354329)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 1 3 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 32P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 8Dy 162.50000000 9.00000000 PAW_PBE Dy_3 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 Dy 1.0 16.2308256200000010 0.0000000000000000 0.0076545800000000 0.0000000000000000 7.0107987200000004 0.0000000000000000 -5.6339234700000000 0.0000000000000000 7.7268589700000003 Li O P Dy 4 48 16 4Direct 0.0000000000000000 0.2075222300000000 0.2500000000000000 0.0000000000000000 0.7924777700000000 0.7500000000000000 0.5000000000000000 0.7075222299999999 0.2500000000000000 0.5000000000000000 0.2924777700000000 0.7500000000000000 0.8729172900000000 0.3847209800000000 0.4765836000000000 0.6270827100000000 0.8847209800000000 0.0234164000000000 0.1270827100000000 0.6152790200000000 0.5234164000000000 0.3729172900000000 0.1152790200000000 0.9765836000000000 0.9307343100000000 0.4202769300000000 0.2761814500000000 0.0692656900000000 0.4202769300000000 0.2238185500000000 0.0692656900000000 0.5797230700000000 0.7238185500000001 0.9307343100000000 0.5797230700000000 0.7761814499999999 0.3878169100000000 0.7165745900000000 0.8169251399999999 0.1121830900000000 0.2165745900000000 0.6830748600000001 0.6121830900000000 0.2834254100000000 0.1830748600000000 0.8878169100000000 0.7834254100000000 0.3169251400000000 0.9358910000000000 0.0010915600000000 0.0741700000000000 0.0641090000000000 0.0010915600000000 0.4258300000000000 0.0641090000000000 0.9989084400000000 0.9258300000000000 0.9358910000000000 0.9989084400000000 0.5741700000000001 0.2549636000000000 0.5752660600000000 0.8513601800000000 0.2450364000000000 0.0752660600000000 0.6486398200000000 0.7450364000000000 0.4247339400000000 0.1486398200000000 0.7549636000000000 0.9247339400000000 0.3513601800000000 0.3446923000000000 0.3725580200000000 0.7653435200000001 0.1553077000000000 0.8725580200000000 0.7346564799999999 0.6553077000000000 0.6274419800000000 0.2346564800000000 0.8446923000000000 0.1274419800000000 0.2653435200000000 0.3729172900000000 0.8847209800000000 0.4765836000000000 0.1270827100000000 0.3847209800000000 0.0234164000000000 0.6270827100000000 0.1152790200000000 0.5234164000000000 0.8729172900000000 0.6152790200000000 0.9765836000000000 0.4307343100000000 0.9202769300000000 0.2761814500000000 0.5692656899999999 0.9202769300000000 0.2238185500000000 0.5692656899999999 0.0797230700000000 0.7238185500000001 0.4307343100000000 0.0797230700000000 0.7761814499999999 0.8878169100000000 0.2165745900000000 0.8169251399999999 0.6121830900000000 0.7165745900000000 0.6830748600000001 0.1121830900000000 0.7834254100000000 0.1830748600000000 0.3878169100000000 0.2834254100000000 0.3169251400000000 0.4358910000000000 0.5010915600000000 0.0741700000000000 0.5641090000000000 0.5010915600000000 0.4258300000000000 0.5641090000000000 0.4989084400000000 0.9258300000000000 0.4358910000000000 0.4989084400000000 0.5741700000000001 0.7549636000000000 0.0752660600000000 0.8513601800000000 0.7450364000000000 0.5752660600000000 0.6486398200000000 0.2450364000000000 0.9247339400000000 0.1486398200000000 0.2549636000000000 0.4247339400000000 0.3513601800000000 0.8446923000000000 0.8725580200000000 0.7653435200000001 0.6553077000000000 0.3725580200000000 0.7346564799999999 0.1553077000000000 0.1274419800000000 0.2346564800000000 0.3446923000000000 0.6274419800000000 0.2653435200000000 0.8547266700000000 0.3529404200000000 0.3060992700000000 0.6452733300000000 0.8529404200000000 0.1939007300000000 0.1452733300000000 0.6470595800000001 0.6939007300000000 0.3547266700000000 0.1470595800000000 0.8060992700000000 0.8634719500000000 0.9494171600000000 0.3849042500000000 0.6365280500000000 0.4494171600000000 0.1150957500000000 0.1365280500000000 0.0505828400000000 0.6150957500000001 0.3634719500000000 0.5505828400000000 0.8849042499999999 0.3547266700000000 0.8529404200000000 0.3060992700000000 0.1452733300000000 0.3529404200000000 0.1939007300000000 0.6452733300000000 0.1470595800000000 0.6939007300000000 0.8547266700000000 0.6470595800000001 0.8060992700000000 0.3634719500000000 0.4494171600000000 0.3849042500000000 0.1365280500000000 0.9494171600000000 0.1150957500000000 0.6365280500000000 0.5505828400000000 0.6150957500000001 0.8634719500000000 0.0505828400000000 0.8849042499999999 0.0000000000000000 0.7051125100000000 0.2500000000000000 0.0000000000000000 0.2948874900000000 0.7500000000000000 0.5000000000000000 0.2051125100000000 0.2500000000000000 0.5000000000000000 0.7948874900000000 0.7500000000000000vasp-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 3 3 0.000 0.000 0.000