# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/2c97528f-d64a-433d-a510-c00ed167e101/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 LiZr2(PO4)3 / P2_1/c (14) / materials id 10499](https://mdr.nims.go.jp/datasets/2b9fd1e2-9a11-4ecd-8ad6-3dae55881655)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 2 2 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 24P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 16Zr 91.22400000 12.00000000 PAW_PBE Zr_sv 04Jan2005 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 Zr 1.0 8.8613919299999999 0.0000000000000000 0.0106032800000000 0.0000000000000000 8.9721941300000001 0.0000000000000000 -8.6973922500000000 0.0000000000000000 12.4162304999999993 Li O P Zr 4 48 12 8Direct 0.9689710400000000 0.7756990300000000 0.6783479400000000 0.0310289600000000 0.2756990300000000 0.8216520600000000 0.0310289600000000 0.2243009700000000 0.3216520600000000 0.9689710400000000 0.7243009700000000 0.1783479400000000 0.7066968400000000 0.2116671200000000 0.3320943700000000 0.4413514500000000 0.3542115900000000 0.0630143600000000 0.5586485500000000 0.8542115900000000 0.4369856400000000 0.5586485500000000 0.6457884100000000 0.9369856400000000 0.4413514500000000 0.1457884100000000 0.5630143599999999 0.5947014400000000 0.4772819900000000 0.2742363100000000 0.4052985600000000 0.9772819900000000 0.2257636900000000 0.4052985600000000 0.5227180100000000 0.7257636900000000 0.7973021800000000 0.8944547800000000 0.3545261800000000 0.7973021800000000 0.6055452200000000 0.8545261800000000 0.2026978200000000 0.1055452200000000 0.6454738200000000 0.5169389099999999 0.6669297900000000 0.0886364100000000 0.4830610900000000 0.1669297900000000 0.4113635900000000 0.4830610900000000 0.3330702100000000 0.9113635900000000 0.5169389099999999 0.8330702100000000 0.5886364100000000 0.2933031600000000 0.7116671200000000 0.1679056300000000 0.5947014400000000 0.0227180100000000 0.7742363100000000 0.2026978200000000 0.3944547800000000 0.1454738200000000 0.7066968400000000 0.2883328800000000 0.8320943700000000 0.2933031600000000 0.7883328800000000 0.6679056299999999 0.1794908200000000 0.5821370900000000 0.5306708800000000 0.8205091799999999 0.0821370900000000 0.9693291200000000 0.8205091799999999 0.4178629100000000 0.4693291200000000 0.1794908200000000 0.9178629100000000 0.0306708800000000 0.0015437800000000 0.7468417400000000 0.3203480300000000 0.9984562200000000 0.2468417400000000 0.1796519700000000 0.9984562200000000 0.2531582600000000 0.6796519700000000 0.0015437800000000 0.7531582600000000 0.8203480300000000 0.3896285400000000 0.6377133699999999 0.4432142200000000 0.6103714600000000 0.1377133700000000 0.0567857800000000 0.1401863000000000 0.5566978800000000 0.9653863200000000 0.3896285400000000 0.8622866300000001 0.9432142200000000 0.9192601900000000 0.4036445800000000 0.3436420600000000 0.0807398100000000 0.9036445800000000 0.1563579400000000 0.0807398100000000 0.5963554200000001 0.6563579399999999 0.9192601900000000 0.0963554200000000 0.8436420600000000 0.0559836800000000 0.5201952000000001 0.2271567600000000 0.9440163200000000 0.0201952000000000 0.2728432400000000 0.9440163200000000 0.4798048000000000 0.7728432400000000 0.0559836800000000 0.9798048000000000 0.7271567600000000 0.2667539500000000 0.3356178300000000 0.4190402500000000 0.7332460500000000 0.8356178300000000 0.0809597500000000 0.7332460500000000 0.6643821700000000 0.5809597500000000 0.2667539500000000 0.1643821700000000 0.9190402500000000 0.1401863000000000 0.9433021200000000 0.4653863200000000 0.8598137000000000 0.4433021200000000 0.0346136800000000 0.8598137000000000 0.0566978800000000 0.5346136800000000 0.6103714600000000 0.3622866300000000 0.5567857800000000 0.5470498900000000 0.7506329000000000 0.0122358600000000 0.4529501100000000 0.2506329000000000 0.4877641400000000 0.5470498900000000 0.7493671000000000 0.5122358600000000 0.2432584100000000 0.8773077300000000 0.1463369300000000 0.7567415900000000 0.3773077300000000 0.3536630700000000 0.7567415900000000 0.1226922700000000 0.8536630700000000 0.2432584100000000 0.6226922699999999 0.6463369299999999 0.9701734200000000 0.5991828500000000 0.8551185100000001 0.0298265800000000 0.0991828500000000 0.6448814899999999 0.0298265800000000 0.4008171500000000 0.1448814900000000 0.9701734200000000 0.9008171500000000 0.3551185100000000 0.4529501100000000 0.2493671000000000 0.9877641400000000 0.1437952500000000 0.5452432300000001 0.3893051000000000 0.3706595500000000 0.5249030600000000 0.1218234800000000 0.6293404499999999 0.0249030600000000 0.3781765200000000 0.6293404499999999 0.4750969400000000 0.8781765200000000 0.3706595500000000 0.9750969400000000 0.6218234800000000 0.1437952500000000 0.9547567700000000 0.8893051000000000 0.8562047500000000 0.4547567700000000 0.6106948999999999 0.8562047500000000 0.0452432300000000 0.1106949000000000vasp-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 2 2 0.000 0.000 0.000