# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/b6858699-8a93-409e-8341-2bde9c908fe6/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 Li2SiN2 / Pbca (61) / materials id 684024](https://mdr.nims.go.jp/datasets/2315eadf-b170-4243-ad00-9c1f64560214)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 64Li 7.01000000 3.00000000 PAW_PBE Li_sv 10Sep2004 32Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 64N 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 Li Si N 1.0 9.8827678999999993 0.0000000000000000 0.0000000000000000 0.0000000000000000 9.8969663699999995 0.0000000000000000 0.0000000000000000 0.0000000000000000 14.9667932599999993 Li Si N 64 32 64Direct 0.4001340600000000 0.8468456200000000 0.1224709300000000 0.2928047400000000 0.0287656300000000 0.3751562100000000 0.6385396800000001 0.7021164700000000 0.6220194999999999 0.9580435300000000 0.6201152900000000 0.3745376300000000 0.3961608800000000 0.9380032700000001 0.9786553900000000 0.6696451800000001 0.1618875900000000 0.7275132000000000 0.2071952600000000 0.9712343700000000 0.8751562100000000 0.8089354900000000 0.3951056400000000 0.7846272100000000 0.3635606700000000 0.4211476400000000 0.0372987700000000 0.7071952600000000 0.9712343700000000 0.6248437900000000 0.6364393300000000 0.5788523600000000 0.9627012300000000 0.1385396800000000 0.7021164700000000 0.8779805000000001 0.1385396800000000 0.7978835300000000 0.3779805000000000 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0.2377859500000000 0.2372441600000000 0.4133781000000000 0.4914989500000000 0.7372441599999999 0.4133781000000000 0.0085010500000000 0.1845327700000000 0.1942498000000000 0.3777916600000000 0.8354842900000000 0.0258835400000000 0.7318984700000000 0.0073395800000000 0.7754088299999999 0.7622140500000000 0.8154672300000000 0.8057502000000000 0.6222083400000000 0.4438478600000000 0.4600565400000000 0.6148547400000000 0.6845327700000000 0.1942498000000000 0.1222083400000000vasp-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 1 0.000 0.000 0.000