# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/05773998-78b1-4fc4-8471-960b20a015d1/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 Ca2Si5N8 / Pbca (61) / materials id 570645](https://mdr.nims.go.jp/datasets/8461633e-c774-4337-96f8-6ecf4b281d06)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 1 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 16Ca 40.07800000 8.00000000 PAW_PBE Ca_pv 06Sep2000 40Si 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 = 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 Ca Si N 1.0 9.6456083899999996 0.0000000000000000 0.0000000000000000 0.0000000000000000 13.6161611199999992 0.0000000000000000 0.0000000000000000 0.0000000000000000 10.5694452200000004 Ca Si N 16 40 64Direct 0.3454568900000000 0.5147972599999999 0.6141182000000001 0.5599035299999999 0.9023527000000000 0.6129766900000000 0.0599035300000000 0.5976473000000000 0.3870233100000000 0.6545431100000000 0.0147972600000000 0.8858817999999999 0.9400964700000000 0.0976473000000000 0.1129766900000000 0.5599035299999999 0.5976473000000000 0.1129766900000000 0.1545431100000000 0.4852027400000000 0.1141182000000000 0.8454568900000000 0.5147972599999999 0.8858817999999999 0.1545431100000000 0.0147972600000000 0.6141182000000001 0.9400964700000000 0.4023527000000000 0.6129766900000000 0.3454568900000000 0.9852027400000000 0.1141182000000000 0.8454568900000000 0.9852027400000000 0.3858818000000000 0.6545431100000000 0.4852027400000000 0.3858818000000000 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0.4773980400000000 0.7469701100000000 0.8816299400000001 0.7602575600000000 0.7296949200000000 0.4732695600000000 0.0782784800000000 0.8685045100000000 0.7090592300000000 0.4773980400000000 0.2530298900000000 0.3816299400000000 0.7397424400000000 0.4587518400000000 0.5972625000000000 0.4330867800000000 0.1119673600000000 0.7208261700000000 0.6194470999999999 0.2703050800000000 0.5267304400000000 0.9217215200000000 0.3570480400000000 0.6823054399999999 0.7537719800000000 0.6314954900000000 0.2909407700000000 0.9773980400000000 0.2469701100000000 0.8816299400000001 0.7397424400000000 0.6081978299999999 0.7975990100000000 0.1171869000000000 0.8685045100000000 0.7909407700000000 0.9773980400000000 0.1314954900000000 0.2090592300000000 0.0226019600000000 0.2530298900000000 0.1183700600000000 0.2397424400000000 0.6429519600000000 0.3176945600000000 0.2462280200000000 0.1119673600000000 0.7791738300000000 0.1194471000000000 0.1081978300000000 0.7975990100000000 0.3828131000000000 0.8918021700000001 0.2024009900000000 0.6171869000000000 0.9587518400000000 0.5972625000000000 0.0669132200000000 0.7469701100000000 0.6183700599999999 0.2602575600000000vasp-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 2 0.000 0.000 0.000