# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/fc0b9cfe-1a94-4501-af12-1c1db8168d59/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 Sr3MoN4 / C2/c (15) / materials id 570046](https://mdr.nims.go.jp/datasets/30bafb07-0d14-45c5-999d-7edf124dcfc3)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 36Sr 87.62000000 10.00000000 PAW_PBE Sr_sv 07Sep2000 12Mo 95.94000000 12.00000000 PAW_PBE Mo_pv 04Feb2005 48N 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 Mo N 1.0 17.7349531800000015 0.0000000000000000 -0.0023744100000000 0.0000000000000000 10.2410424800000008 0.0000000000000000 -1.3597277299999999 0.0000000000000000 9.7299476699999996 Sr Mo N 36 12 48Direct 0.1857586500000000 0.5351091200000000 0.2984292100000000 0.0222493800000000 0.6608607600000000 0.0878613200000000 0.1536629500000000 0.2347417300000000 0.1001206500000000 0.3142413500000000 0.9648908800000000 0.7015707900000000 0.3142413500000000 0.0351091200000000 0.2015707900000000 0.4777506200000000 0.1608607600000000 0.4121386800000000 0.1857586500000000 0.4648908800000000 0.7984292100000000 0.3463370500000000 0.2652582700000000 0.8998793500000000 0.3225614600000000 0.6273287900000000 0.0452204900000000 0.0000000000000000 0.9856422900000000 0.7500000000000000 0.4777506200000000 0.8391392400000000 0.9121386800000000 0.5000000000000000 0.5143577100000001 0.2500000000000000 0.3225614600000000 0.3726712100000000 0.5452204899999999 0.0222493800000000 0.3391392400000000 0.5878613200000000 0.1774385400000000 0.8726712100000000 0.9547795100000001 0.1536629500000000 0.7652582700000000 0.6001206500000000 0.3463370500000000 0.7347417300000000 0.3998793500000000 0.1774385400000000 0.1273287900000000 0.4547795100000000 0.6857586500000000 0.0351091200000000 0.2984292100000000 0.5222493800000000 0.1608607600000000 0.0878613200000000 0.6536629500000000 0.7347417300000000 0.1001206500000000 0.8142413500000000 0.4648908800000000 0.7015707900000000 0.8142413500000000 0.5351091200000000 0.2015707900000000 0.9777506200000000 0.6608607600000000 0.4121386800000000 0.6857586500000000 0.9648908800000000 0.7984292100000000 0.8463370500000000 0.7652582700000000 0.8998793500000000 0.8225614600000000 0.1273287900000000 0.0452204900000000 0.5000000000000000 0.4856422900000000 0.7500000000000000 0.9777506200000000 0.3391392400000000 0.9121386800000000 0.0000000000000000 0.0143577100000000 0.2500000000000000 0.8225614600000000 0.8726712100000000 0.5452204899999999 0.5222493800000000 0.8391392400000000 0.5878613200000000 0.6774385400000000 0.3726712100000000 0.9547795100000001 0.6536629500000000 0.2652582700000000 0.6001206500000000 0.8463370500000000 0.2347417300000000 0.3998793500000000 0.6774385400000000 0.6273287900000000 0.4547795100000000 0.1758232500000000 0.8517090800000000 0.2885652800000000 0.1758232500000000 0.1482909200000000 0.7885652800000000 0.0000000000000000 0.6651536600000000 0.7500000000000000 0.5000000000000000 0.8348463400000000 0.2500000000000000 0.3241767500000000 0.6482909200000000 0.7114347200000000 0.3241767500000000 0.3517090800000000 0.2114347200000000 0.6758232500000000 0.3517090800000000 0.2885652800000000 0.6758232500000000 0.6482909200000000 0.7885652800000000 0.5000000000000000 0.1651536600000000 0.7500000000000000 0.0000000000000000 0.3348463400000000 0.2500000000000000 0.8241767500000000 0.1482909200000000 0.7114347200000000 0.8241767500000000 0.8517090800000000 0.2114347200000000 0.4022348200000000 0.7551358500000001 0.6639071800000000 0.2647845600000000 0.7474099599999999 0.8161795300000000 0.4492193900000000 0.7215721600000000 0.1224238700000000 0.2602394900000000 0.5950706299999999 0.5551958900000000 0.0507806100000000 0.7784278400000000 0.8775761300000000 0.2352154400000000 0.7525900400000000 0.1838204700000000 0.3603686700000000 0.4984538800000000 0.3078690700000000 0.4348696000000000 0.9336810799999999 0.3446596700000000 0.2647845600000000 0.2525900400000000 0.3161795300000000 0.4348696000000000 0.0663189200000000 0.8446596700000000 0.0977651800000000 0.2551358500000000 0.8360928200000000 0.0507806100000000 0.2215721600000000 0.3775761300000000 0.0651304000000000 0.4336810800000000 0.1553403300000000 0.2397605100000000 0.9049293700000000 0.4448041100000000 0.4022348200000000 0.2448641500000000 0.1639071800000000 0.1396313300000000 0.0015461200000000 0.6921309300000000 0.2602394900000000 0.4049293700000000 0.0551958900000000 0.0651304000000000 0.5663189200000001 0.6553403300000000 0.3603686700000000 0.5015461200000000 0.8078690700000000 0.2352154400000000 0.2474099600000000 0.6838204700000000 0.1396313300000000 0.9984538800000000 0.1921309300000000 0.2397605100000000 0.0950706300000000 0.9448041100000000 0.0977651800000000 0.7448641499999999 0.3360928200000000 0.4492193900000000 0.2784278400000000 0.6224238700000000 0.9022348200000000 0.2551358500000000 0.6639071800000000 0.7647845600000001 0.2474099600000000 0.8161795300000000 0.9492193900000000 0.2215721600000000 0.1224238700000000 0.7602394900000000 0.0950706300000000 0.5551958900000000 0.5507806100000000 0.2784278400000000 0.8775761300000000 0.7352154399999999 0.2525900400000000 0.1838204700000000 0.8603686699999999 0.9984538800000000 0.3078690700000000 0.9348696000000000 0.4336810800000000 0.3446596700000000 0.7647845600000001 0.7525900400000000 0.3161795300000000 0.9348696000000000 0.5663189200000001 0.8446596700000000 0.5977651800000000 0.7551358500000001 0.8360928200000000 0.5507806100000000 0.7215721600000000 0.3775761300000000 0.5651303999999999 0.9336810799999999 0.1553403300000000 0.7397605100000000 0.4049293700000000 0.4448041100000000 0.9022348200000000 0.7448641499999999 0.1639071800000000 0.6396313300000001 0.5015461200000000 0.6921309300000000 0.7602394900000000 0.9049293700000000 0.0551958900000000 0.5651303999999999 0.0663189200000000 0.6553403300000000 0.8603686699999999 0.0015461200000000 0.8078690700000000 0.7352154399999999 0.7474099599999999 0.6838204700000000 0.6396313300000001 0.4984538800000000 0.1921309300000000 0.7397605100000000 0.5950706299999999 0.9448041100000000 0.5977651800000000 0.2448641500000000 0.3360928200000000 0.9492193900000000 0.7784278400000000 0.6224238700000000vasp-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 1 2 2 0.000 0.000 0.000