# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/c7172aa6-101b-4b3a-84f9-a52e8863d5e9/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 SrAlSi4N7 / Pna2_1 (33) / materials id 570577](https://mdr.nims.go.jp/datasets/ec26580c-5ce8-4475-b9b7-2050633f00d0)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 1 4 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 8Sr 87.62000000 10.00000000 PAW_PBE Sr_sv 07Sep2000 8Al 26.98100000 3.00000000 PAW_PBE Al 04Jan2001 32Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 56N 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 = 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 Sr Al Si N 1.0 11.7564020300000003 0.0000000000000000 0.0000000000000000 0.0000000000000000 21.1250823300000015 0.0000000000000000 0.0000000000000000 0.0000000000000000 4.9457279600000001 Sr Al Si N 8 8 32 56Direct 0.2280677200000000 0.0097802600000000 0.9346983799999999 0.2719322800000000 0.5097802600000000 0.4346983800000000 0.1521416600000000 0.7979438599999999 0.4671249400000000 0.6521416600000001 0.7020561400000001 0.4671249400000000 0.7719322800000000 0.9902197400000000 0.4346983800000000 0.7280677200000000 0.4902197400000000 0.9346983799999999 0.3478583400000000 0.2979438600000000 0.9671249400000000 0.8478583399999999 0.2020561400000000 0.9671249400000000 0.6623624500000000 0.8484115800000001 0.2320641000000000 0.3376375500000000 0.1515884200000000 0.7320641000000000 0.6636447500000000 0.8499826800000000 0.7397137000000000 0.8363552500000000 0.3499826800000000 0.2397137000000000 0.3363552500000000 0.1500173200000000 0.2397137000000000 0.8376375500000000 0.3484115800000000 0.7320641000000000 0.1636447500000000 0.6500173200000000 0.7397137000000000 0.1623624500000000 0.6515884199999999 0.2320641000000000 0.9642669000000000 0.1100892400000000 0.4578842700000000 0.9310860500000000 0.6996708800000000 0.4684748400000000 0.8119113500000000 0.6392206100000000 0.9486833700000000 0.9009104700000000 0.8471292100000000 0.4707482700000000 0.4009104700000000 0.6528707899999999 0.4707482700000000 0.4642669000000000 0.3899107600000000 0.4578842700000000 0.4978944500000000 0.0442432700000000 0.4585200700000000 0.1880886500000000 0.3607793900000000 0.4486833700000000 0.5689139500000000 0.1996708800000000 0.9684748399999999 0.0689139500000000 0.3003291200000000 0.9684748399999999 0.9393103300000000 0.0330160500000000 0.9573959300000000 0.1617226100000000 0.4346305100000000 0.9451862900000000 0.1382518600000000 0.2232389900000000 0.4690886300000000 0.6617226100000000 0.0653694900000000 0.9451862900000000 0.4393103300000000 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0.9707482700000000 0.1301930500000000 0.2944997300000000 0.2899540100000000 0.0854882100000000 0.2266684300000000 0.8024402300000000 0.0007072200000000 0.1017558700000000 0.8051888700000001 0.4145117900000000 0.7266684299999999 0.3024402300000000 0.7045705700000000 0.5323892099999998 0.4252554500000000 0.5115704500000000 0.5333021700000000 0.8021153500000000 0.9303285700000000 0.3146468500000000 0.9878340700000000 0.0115704500000000 0.9666978300000000 0.8021153500000000 0.3462314300000000 0.8576517200000000 0.2967698000000000 0.5696714300000000 0.8146468500000000 0.4878340700000000 0.6537685700000000 0.1423482800000000 0.7967698000000000 0.7218329800000001 0.7925944500000000 0.9849130800000000 0.9439204600000000 0.5208257800000000 0.2751256800000000 0.8462314300000000 0.6423482800000000 0.2967698000000000 0.0560795400000000 0.4791742200000000 0.7751256800000000 0.1098448400000000 0.5944271600000000 0.9925057800000000 0.7313891600000000 0.3761219100000000 0.9807609300000000 0.5506052800000000 0.3328398400000000 0.2998740100000000 0.5007072200000000 0.3982441300000000 0.8051888700000001 0.7781670199999999 0.2925944500000000 0.4849130800000000 0.8798099900000000 0.5733816500000000 0.7876122000000000 0.6709556400000001 0.6319717700000000 0.9097977300000000 0.5560795400000000 0.0208257800000000 0.7751256800000000 0.6098448400000001 0.9055728400000000 0.9925057800000000 0.9493947200000000 0.8328398400000000 0.7998740100000000 0.3901551600000000 0.0944271600000000 0.4925057800000000 0.6201900100000000 0.0733816500000000 0.2876122000000000 0.4992927800000000 0.6017558700000001 0.3051888700000000 0.3290443600000000 0.3680282300000000 0.4097977300000000 0.2218329800000000 0.7074055500000000 0.9849130800000000 0.1709556400000000 0.8680282300000000 0.9097977300000000 0.4303285700000000 0.1853531500000000 0.9878340700000000 0.6301930499999999 0.2055002700000000 0.2899540100000000 0.7954294300000000 0.0323892100000000 0.9252554500000000 0.4439204600000000 0.9791742200000000 0.2751256800000000 0.9145117900000000 0.7733315700000000 0.3024402300000000 0.8290443600000000 0.1319717700000000 0.4097977300000000 0.5854882100000001 0.2733315700000000 0.8024402300000000 0.4493947200000000 0.6671601600000000 0.7998740100000000 0.0506052800000000 0.1671601600000000 0.2998740100000000 0.2686108400000000 0.6238780900000001 0.4807609300000000 0.2045705700000000 0.9676107900000001 0.4252554500000000 0.1537685700000000 0.3576517200000000 0.7967698000000000 0.3798099900000000 0.9266183500000000 0.7876122000000000 0.2781670200000000 0.2074055500000000 0.4849130800000000 0.8698069500000000 0.7055002699999999 0.7899540100000000 0.0696714300000000 0.6853531500000001 0.4878340700000000 0.3698069500000000 0.7944997300000000 0.7899540100000000 0.1201900100000000 0.4266183500000000 0.2876122000000000 0.7686108400000000 0.8761219099999999 0.4807609300000000 0.9884295500000000 0.0333021700000000 0.3021153500000000 0.9992927800000000 0.8982441300000000 0.3051888700000000 0.8901551599999999 0.4055728400000000 0.4925057800000000 0.2313891600000000 0.1238780900000000 0.9807609300000000 0.4884295500000000 0.4666978300000000 0.3021153500000000 0.2954294300000000 0.4676107900000000 0.9252554500000000vasp-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 1 4 0.000 0.000 0.000