# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/b291525f-7527-46ae-b623-34512325105c/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 La2CO5 / C2/c (15) / materials id 555349](https://mdr.nims.go.jp/datasets/8f327b68-1278-4ace-9ec2-191e8f52f5e6)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 3 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 24La 138.90000000 11.00000000 PAW_PBE La 06Sep2000 12C 12.01100000 4.00000000 PAW_PBE C 08Apr2002 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 = 520.000000 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 La C O 1.0 12.1199660700000003 0.0000000000000000 -0.0059229100000000 0.0000000000000000 6.9990350399999999 0.0000000000000000 -4.0295356000000000 0.0000000000000000 15.8809427099999994 La C O 24 12 60Direct 0.4481002700000000 0.4126905600000000 0.0945157800000000 0.2835870400000000 0.0809624800000000 0.5941770000000000 0.5518997299999999 0.4126905600000000 0.4054842200000000 0.5518997299999999 0.5873094400000001 0.9054842200000000 0.7164129600000000 0.9190375200000001 0.4058230000000000 0.6134824200000000 0.9185280600000000 0.0966405000000000 0.6134824200000000 0.0814719400000000 0.5966405000000000 0.7164129600000000 0.0809624800000000 0.9058230000000000 0.3865175800000000 0.0814719400000000 0.9033595000000000 0.3865175800000000 0.9185280600000000 0.4033595000000000 0.2835870400000000 0.9190375200000001 0.0941770000000000 0.4481002700000000 0.5873094400000001 0.5945157800000000 0.9481002700000000 0.9126905600000000 0.0945157800000000 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0.6747711100000000 0.2343048700000000 0.3220078300000000 0.3971467500000000 0.4182421300000000 0.9413742200000000 0.7851229100000000 0.3698726300000000 0.2485606200000000 0.8755409800000000 0.7318352299999999 0.3210576900000000 0.6028532500000000 0.5817578700000000 0.0586257800000000 0.3971467500000000 0.5817578700000000 0.4413742200000000 0.9761337600000000 0.2834329900000000 0.1784760800000000 0.2701224400000000 0.5842338700000000 0.0588270500000000 0.0000000000000000 0.9892967300000000 0.7500000000000000 0.6028532500000000 0.4182421300000000 0.5586257800000001 0.8252288900000000 0.2656951300000000 0.6779921700000000 0.1244590200000000 0.2681647700000000 0.6789423100000000 0.8252288900000000 0.7343048700000000 0.1779921700000000 0.9334091700000000 0.4158748500000000 0.5524444399999999 0.0665908300000000 0.4158748500000000 0.9475555600000000 0.0238662400000000 0.7165670100000000 0.8215239200000000 0.2701224400000000 0.4157661300000000 0.5588270500000000 0.9334091700000000 0.5841251500000000 0.0524444400000000 0.7298775600000000 0.4157661300000000 0.9411729500000000 0.7298775600000000 0.5842338700000000 0.4411729500000000 0.2148770900000000 0.3698726300000000 0.2514393800000000 0.0000000000000000 0.0107032700000000 0.2500000000000000 0.0238662400000000 0.2834329900000000 0.3215239200000000 0.7851229100000000 0.6301273700000001 0.7485606200000000 0.0665908300000000 0.5841251500000000 0.4475555600000000 0.2148770900000000 0.6301273700000001 0.7514393800000000 0.1747711100000000 0.2656951300000000 0.8220078300000000 0.8755409800000000 0.2681647700000000 0.8210576900000000 0.9761337600000000 0.7165670100000000 0.6784760800000000 0.1244590200000000 0.7318352299999999 0.1789423100000000 0.1747711100000000 0.7343048700000000 0.3220078300000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 520.000000 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 1 0.000 0.000 0.000