# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/7531bab5-c1e6-4dd6-afc9-79dfd003101e/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 LiLa(PO3)4 / C2/c (15) / materials id 560866](https://mdr.nims.go.jp/datasets/831be126-15f3-4e19-a22e-5a19adc9ec51)
## 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 8La 138.90000000 11.00000000 PAW_PBE La 06Sep2000 32P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 96O 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 La P O 1.0 16.5765916299999994 0.0000000000000000 -0.0395349600000000 0.0000000000000000 7.0960589499999998 0.0000000000000000 -5.8816991400000003 0.0000000000000000 7.9801435700000001 Li La P O 4 4 16 48Direct 0.5000000000000000 0.2998973300000000 0.7500000000000000 0.5000000000000000 0.7001026699999999 0.2500000000000000 0.0000000000000000 0.7998973300000000 0.7500000000000000 0.0000000000000000 0.2001026700000000 0.2500000000000000 0.5000000000000000 0.1986234500000000 0.2500000000000000 0.5000000000000000 0.8013765500000000 0.7500000000000000 0.0000000000000000 0.6986234499999999 0.2500000000000000 0.0000000000000000 0.3013765500000000 0.7500000000000000 0.6491216700000000 0.8386754800000000 0.5960092299999999 0.1380841700000000 0.0601355600000000 0.1639724900000000 0.1491216700000000 0.6613245200000000 0.0960092300000000 0.8508783300000000 0.3386754800000000 0.9039907700000001 0.6380841700000000 0.4398644400000000 0.6639724900000000 0.3619158300000000 0.5601355600000000 0.3360275100000000 0.8619158300000000 0.9398644400000000 0.8360275100000000 0.3508783300000000 0.1613245200000000 0.4039907700000000 0.1491216700000000 0.3386754800000000 0.5960092299999999 0.6380841700000000 0.5601355600000000 0.1639724900000000 0.6491216700000000 0.1613245200000000 0.0960092300000000 0.3508783300000000 0.8386754800000000 0.9039907700000001 0.1380841700000000 0.9398644400000000 0.6639724900000000 0.8619158300000000 0.0601355600000000 0.3360275100000000 0.3619158300000000 0.4398644400000000 0.8360275100000000 0.8508783300000000 0.6613245200000000 0.4039907700000000 0.1142592800000000 0.2237387500000000 0.0508381500000000 0.3701158700000000 0.1155690100000000 0.2783571100000000 0.1607932400000000 0.8857318000000000 0.0891214700000000 0.7431415900000000 0.4101521400000000 0.8450042700000000 0.8857407200000000 0.7762612500000000 0.9491618500000000 0.2431415900000000 0.0898478600000000 0.3450042700000000 0.7568584100000000 0.9101521400000000 0.6549957300000000 0.8701158700000000 0.3844309900000000 0.7783571100000000 0.5649471200000000 0.5072064300000000 0.2009220000000000 0.4350528800000000 0.4927935700000000 0.7990780000000000 0.3392067600000000 0.3857318000000000 0.4108785300000000 0.4247622900000000 0.1022001600000000 0.5837516000000000 0.4247622900000000 0.8977998400000000 0.0837516000000000 0.5752377100000000 0.8977998400000000 0.4162484000000000 0.2568584100000000 0.5898478600000000 0.1549957300000000 0.4350528800000000 0.5072064300000000 0.2990780000000000 0.1298841300000000 0.6155690100000000 0.2216428900000000 0.3857407200000000 0.7237387500000000 0.4491618500000000 0.6142592800000000 0.2762612500000000 0.5508381500000000 0.5752377100000000 0.1022001600000000 0.9162484000000000 0.8392067599999999 0.1142682000000000 0.9108785300000000 0.5649471200000000 0.4927935700000000 0.7009220000000000 0.6607932400000001 0.6142681999999999 0.5891214700000000 0.6298841300000000 0.8844309900000000 0.7216428900000000 0.6142592800000000 0.7237387500000000 0.0508381500000000 0.8701158700000000 0.6155690100000000 0.2783571100000000 0.6607932400000001 0.3857318000000000 0.0891214700000000 0.2431415900000000 0.9101521400000000 0.8450042700000000 0.3857407200000000 0.2762612500000000 0.9491618500000000 0.7431415900000000 0.5898478600000000 0.3450042700000000 0.2568584100000000 0.4101521400000000 0.6549957300000000 0.3701158700000000 0.8844309900000000 0.7783571100000000 0.0649471200000000 0.0072064300000000 0.2009220000000000 0.9350528800000000 0.9927935700000000 0.7990780000000000 0.8392067599999999 0.8857318000000000 0.4108785300000000 0.9247622900000000 0.6022001600000000 0.5837516000000000 0.9247622900000000 0.3977998400000000 0.0837516000000000 0.0752377100000000 0.3977998400000000 0.4162484000000000 0.7568584100000000 0.0898478600000000 0.1549957300000000 0.9350528800000000 0.0072064300000000 0.2990780000000000 0.6298841300000000 0.1155690100000000 0.2216428900000000 0.8857407200000000 0.2237387500000000 0.4491618500000000 0.1142592800000000 0.7762612500000000 0.5508381500000000 0.0752377100000000 0.6022001600000000 0.9162484000000000 0.3392067600000000 0.6142681999999999 0.9108785300000000 0.0649471200000000 0.9927935700000000 0.7009220000000000 0.1607932400000000 0.1142682000000000 0.5891214700000000 0.1298841300000000 0.3844309900000000 0.7216428900000000vasp-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 1 3 2 0.000 0.000 0.000