# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/d90cf126-5d34-42b2-a245-0975c1de996b/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 LiPO3 / P2/c (13) / materials id 557189](https://mdr.nims.go.jp/datasets/16f13ed1-503f-485c-a5e8-2c3ce1a3633e)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 4 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 20Li 7.01000000 3.00000000 PAW_PBE Li_sv 10Sep2004 20P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 60O 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 P O 1.0 13.1386172699999992 0.0000000000000000 -0.0361715000000000 0.0000000000000000 5.4036026000000001 0.0000000000000000 -10.4900851999999993 0.0000000000000000 16.3315099299999993 Li P O 20 20 60Direct 0.3819040800000000 0.4876382100000000 0.4422282500000000 0.3819040800000000 0.5123617899999999 0.9422282500000000 0.6180959200000000 0.5123617899999999 0.5577717500000000 0.0000000000000000 0.9908998600000000 0.7500000000000000 0.3543950900000000 0.5227370200000000 0.6749343100000000 0.5000000000000000 0.9590071700000000 0.2500000000000000 0.3543950900000000 0.4772629800000000 0.1749343100000000 0.6180959200000000 0.4876382100000000 0.0577717500000000 0.1178621800000000 0.4715723300000000 0.5584517200000000 0.0000000000000000 0.0091001400000000 0.2500000000000000 0.5000000000000000 0.0409928300000000 0.7500000000000000 0.1178621800000000 0.5284276700000000 0.0584517200000000 0.1453074000000000 0.5039344200000000 0.8266234700000000 0.1453074000000000 0.4960655800000000 0.3266234700000000 0.8546926000000000 0.4960655800000000 0.1733765300000000 0.8821378200000000 0.5284276700000000 0.4415482800000000 0.6456049100000000 0.5227370200000000 0.8250656900000000 0.8546926000000000 0.5039344200000000 0.6733765300000000 0.6456049100000000 0.4772629800000000 0.3250656900000000 0.8821378200000000 0.4715723300000000 0.9415482800000000 0.1362115800000000 0.1750820700000000 0.1826945300000000 0.3266584900000000 0.1914455700000000 0.7939902900000000 0.5232683600000000 0.8467833700000000 0.8981179300000000 0.7291175999999999 0.8074979300000000 0.4906083900000000 0.2708824000000000 0.8074979300000000 0.0093916100000000 0.4767316400000000 0.8467833700000000 0.6018820700000000 0.0646183600000000 0.8411336500000000 0.4173753900000000 0.8637884200000000 0.8249179300000000 0.8173054700000000 0.6733415100000000 0.8085544300000000 0.2060097100000000 0.7291175999999999 0.1925020700000000 0.9906083900000000 0.8637884200000000 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0.1953024400000000 0.0612599200000000 0.9886049800000000 0.9814122700000000 0.9186540500000000 0.9024802900000000 0.7604188199999999 0.6715359599999999 0.5668075100000001 0.0185877300000000 0.9186540500000000 0.5975197100000000 0.9373208000000000 0.2144587100000000 0.6590819000000000 0.0626792000000000 0.7855412900000001 0.3409181000000000 0.2898026000000000 0.6400186600000000 0.3374546600000000 0.0626792000000000 0.2144587100000000 0.8409181000000000 0.3856720900000000 0.0537062300000000 0.3497980900000000 0.5600466500000000 0.2016401100000000 0.3384779600000000 0.0185877300000000 0.0813459500000000 0.0975197100000000 0.0975292700000000 0.2551198000000000 0.2390402900000000 0.8046975600000000 0.9387400800000000 0.0113950200000000 0.2068195500000000 0.0844732300000000 0.7144258500000000 0.6143279100000000 0.9462937700000000 0.6502019100000000 0.8046975600000000 0.0612599200000000 0.5113950199999999 0.7931804500000000 0.0844732300000000 0.7855741500000000 0.5916580900000000 0.7172042800000000 0.2323939100000000 0.2637736300000000 0.6767020500000001 0.0745814600000000 0.4714641300000000 0.6448822400000001 0.5475789900000000 0.4399533500000000 0.7983598900000000 0.6615220399999999 0.2034793800000000 0.6517787400000000 0.6614028100000000 0.7362263700000000 0.3232979500000000 0.9254185400000000 0.5285358700000000 0.6448822400000001 0.9524210100000000 0.7931804500000000 0.9155267700000000 0.2855741500000000 0.2068195500000000 0.9155267700000000 0.2144258500000000 0.9689649800000000 0.3580304600000000 0.5452589600000000 0.9814122700000000 0.0813459500000000 0.4024802900000000 0.7362263700000000 0.6767020500000001 0.4254185400000000 0.4053012300000000 0.0850902000000000 0.5466688399999999 0.5285358700000000 0.3551177600000000 0.4524210100000000 0.4083419100000000 0.7172042800000000 0.2676060900000000 0.0975292700000000 0.7448802000000000 0.7390402899999999 0.9024707300000000 0.2551198000000000 0.2609597100000000 0.4083419100000000 0.2827957200000000 0.7676060900000000vasp-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