# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/d9230231-16a1-497e-b971-17dc81cb88e7/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 Li15Cr2N9 / Pna2_1 (33) / materials id 530262](https://mdr.nims.go.jp/datasets/28ae0b7b-5924-477b-b0ae-eccc77d9a024)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 8Cr 51.99600000 12.00000000 PAW_PBE Cr_pv 02Aug2007 60Li 7.01000000 3.00000000 PAW_PBE Li_sv 10Sep2004 36N 14.00100000 5.00000000 PAW_PBE N 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 Cr Li N 1.0 9.2562382900000006 0.0000000000000000 0.0000000000000000 0.0000000000000000 10.0848044600000009 0.0000000000000000 0.0000000000000000 0.0000000000000000 10.0791371099999996 Cr Li N 8 60 36Direct 0.5041007000000000 0.0810119800000000 0.0781061100000000 0.5040491200000000 0.5781160300000000 0.9185453400000000 0.4958993000000000 0.9189880200000000 0.5781061100000000 0.4959508800000000 0.4218839700000000 0.4185453400000000 0.9958993000000000 0.5810119800000000 0.5781061100000000 0.9959508800000000 0.0781160300000000 0.4185453400000000 0.0041007000000000 0.4189880200000000 0.0781061100000000 0.0040491200000000 0.9218839700000000 0.9185453400000000 0.7487962800000000 0.7428699800000000 0.7491393500000000 0.7425905100000000 0.0894381800000000 0.7789221700000000 0.7427330400000001 0.2799505300000000 0.9097968200000000 0.7424648700000001 0.2158953900000000 0.5877137600000000 0.7427773100000000 0.4126355900000000 0.7156582000000000 0.7128667000000000 0.0628106500000000 0.4047498400000000 0.7323978600000001 0.5992184400000000 0.5626777700000001 0.7198060399999999 0.9019656200000000 0.9289700500000000 0.7398234699999999 0.4265154900000000 0.1027891700000000 0.5171310499999999 0.7735207500000000 0.0832525000000000 0.5151982200000000 0.5956654699999999 0.2344689600000000 0.5149779100000000 0.9185890300000000 0.2674339400000000 0.5145617900000000 0.7401083900000001 0.4062862800000000 0.5003556100000000 0.2292914500000000 0.2705945000000000 0.4996443900000000 0.7707085499999999 0.7705945000000000 0.5018655000000001 0.3990189900000000 0.0993743500000000 0.4981345000000000 0.6009810099999999 0.5993743499999999 0.4850220900000000 0.0814109700000000 0.7674339400000000 0.4854382100000000 0.2598916100000000 0.9062862800000000 0.4828689500000000 0.2264792500000000 0.5832525000000000 0.4848017800000000 0.4043345300000000 0.7344689600000001 0.2801939600000000 0.0980343800000000 0.4289700500000000 0.2871333000000000 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0.2674339400000000 0.0145617900000000 0.7598916099999999 0.4062862800000000 0.0171310500000000 0.7264792500000000 0.0832525000000000 0.0151982200000000 0.9043345300000000 0.2344689600000000 0.0018655000000000 0.1009810100000000 0.0993743500000000 0.9981345000000000 0.8990189900000000 0.5993743499999999 0.0003556100000000 0.2707085500000000 0.2705945000000000 0.9996443900000000 0.7292914500000001 0.7705945000000000 0.9828689500000000 0.2735207500000000 0.5832525000000000 0.9848017800000000 0.0956654700000000 0.7344689600000001 0.9850220900000000 0.4185890300000000 0.7674339400000000 0.9854382100000000 0.2401083900000000 0.9062862800000000 0.7676021399999999 0.0992184400000000 0.0626777700000000 0.7801939600000000 0.4019656200000000 0.4289700500000000 0.7871333000000000 0.5628106500000001 0.9047498400000000 0.7601765300000000 0.9265154900000000 0.6027891700000000 0.7574094900000000 0.5894381799999999 0.2789221700000000 0.7575351299999999 0.7158953900000000 0.0877137600000000 0.7572669599999999 0.7799505300000000 0.4097968200000000 0.7572226900000000 0.9126355900000001 0.2156582000000000 0.7512037200000000 0.2428699800000000 0.2491393500000000 0.6425985900000000 0.7524869600000000 0.2479424100000000 0.6249360600000000 0.0817642100000000 0.2113363900000000 0.6116102999999999 0.7782202499999999 0.5878416500000000 0.6122856500000000 0.4118000700000000 0.2786962600000000 0.6250135100000000 0.7109190900000000 0.9179050600000001 0.6056889900000000 0.0576931200000000 0.5904496600000000 0.6083489000000000 0.0896829700000000 0.9357798500000000 0.6032096600000000 0.4194976400000000 0.5602422000000000 0.6065072600000000 0.4336123900000000 0.9182274200000000 0.3934927400000000 0.5663876100000000 0.4182274200000000 0.3967903400000000 0.5805023600000000 0.0602422000000000 0.3916511000000000 0.9103170300000000 0.4357798500000000 0.3943110100000000 0.9423068800000000 0.0904496600000000 0.3749864900000000 0.2890809100000000 0.4179050600000000 0.3877143500000000 0.5881999300000000 0.7786962600000000 0.3883897000000000 0.2217797500000000 0.0878416500000000 0.3750639400000000 0.9182357900000000 0.7113363900000000 0.3574014100000000 0.2475130400000000 0.7479424100000001 0.1425985900000000 0.7475130400000001 0.2479424100000000 0.1122856500000000 0.0881999300000000 0.2786962600000000 0.1116103000000000 0.7217797500000001 0.5878416500000000 0.1249360600000000 0.4182357900000000 0.2113363900000000 0.1250135100000000 0.7890809100000000 0.9179050600000001 0.1065072600000000 0.0663876100000000 0.9182274200000000 0.1032096600000000 0.0805023600000000 0.5602422000000000 0.1083489000000000 0.4103170300000000 0.9357798500000000 0.1056889900000000 0.4423068800000000 0.5904496600000000 0.8967903400000000 0.9194976400000000 0.0602422000000000 0.8943110100000000 0.5576931199999999 0.0904496600000000 0.8916511000000000 0.5896829699999999 0.4357798500000000 0.8934927400000000 0.9336123900000000 0.4182274200000000 0.8749864900000000 0.2109190900000000 0.4179050600000000 0.8883897000000001 0.2782202500000000 0.0878416500000000 0.8750639400000000 0.5817642100000000 0.7113363900000000 0.8877143500000000 0.9118000700000000 0.7786962600000000 0.8574014100000000 0.2524869600000000 0.7479424100000001vasp-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 2 2 0.000 0.000 0.000