# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/53f13d27-7e30-41f1-a6c0-6a1b42fd0ed5/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 NaSiBO4 / P6_3 (173) / materials id 556740](https://mdr.nims.go.jp/datasets/cab01b62-efcf-4d15-983c-73f3d41363f5)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 18Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 18Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 18B 10.81100000 3.00000000 PAW_PBE B 06Sep2000 72O 16.00000000 6.00000000 PAW_PBE O 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 Na Si B O 1.0 13.9327652400000002 0.0000000000000000 0.0000000000000000 -6.9663826300000000 12.0661286400000005 0.0000000000000000 0.0000000000000000 0.0000000000000000 7.7260209800000004 Na Si B O 18 18 18 72Direct 0.3117676700000000 0.9861096000000000 0.4979729500000000 0.0138904000000000 0.3256580700000000 0.4979729500000000 0.9879210000000000 0.3337893200000000 0.9319559800000000 0.6662106800000001 0.6541316800000000 0.9319559800000000 0.3337893200000000 0.3458683200000000 0.4319559800000000 0.6666666700000000 0.3333333300000000 0.4771268500000000 0.0000000000000000 0.0000000000000000 0.9476535300000000 0.9861096000000000 0.6743419300000000 0.9979729500000000 0.3458683200000000 0.0120790000000000 0.9319559800000000 0.6666666700000000 0.3333333300000000 0.9749059300000000 0.3333333300000000 0.6666666700000000 0.4749059300000000 0.6743419300000000 0.6882323299999999 0.4979729500000000 0.0000000000000000 0.0000000000000000 0.4476535300000000 0.3333333300000000 0.6666666700000000 0.9771268500000000 0.6882323299999999 0.0138904000000000 0.9979729500000000 0.3256580700000000 0.3117676700000000 0.9979729500000000 0.0120790000000000 0.6662106800000001 0.4319559800000000 0.6541316800000000 0.9879210000000000 0.4319559800000000 0.5508159400000000 0.7880320700000000 0.7600266800000000 0.2372161300000000 0.4491840600000000 0.7600266800000000 0.8787495900000000 0.0959928200000000 0.6665582999999999 0.2119679300000000 0.7627838700000000 0.7600266800000000 0.4308345100000000 0.8854164900000000 0.2536900400000000 0.5454180199999998 0.4308345100000000 0.7536900400000000 0.7880320700000000 0.2372161300000000 0.2600266800000000 0.9040071800000000 0.7827567800000000 0.6665582999999999 0.4491840600000000 0.2119679300000000 0.2600266800000000 0.1145835100000000 0.5454180199999998 0.2536900400000000 0.0959928200000000 0.2172432200000000 0.1665583000000000 0.8854164900000000 0.4545819800000000 0.7536900400000000 0.1212504100000000 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0.6591283299999999 0.5290679500000000 0.1346061500000000 0.2772597200000000 0.4524295300000000 0.9588544700000000 0.0044308900000000 0.4647006200000000 0.7078212200000000 0.6073460399999999 0.1187503700000000 0.9547571800000000 0.8624989100000000 0.5362434899999999 0.6297082199999999 0.5355172499999998 0.2115934500000000 0.7374646200000000 0.2010413700000000 0.0067778400000000 0.2946246800000000 0.7876749500000000 0.8427336800000000 0.9673317100000000 0.0067778400000000 0.8057364600000000 0.7946246800000000 0.1296112600000000 0.3280916300000000 0.7147550600000000 0.1984803800000000 0.8703887400000000 0.7147550600000000 0.9449412600000000 0.7876749500000000 0.4673317100000000 0.0091519600000000 0.1307507000000000 0.6867627199999999 0.4602697300000000 0.9955691100000000 0.7078212200000000 0.1751698000000000 0.7227402800000000 0.9588544700000000 0.4524295300000000 0.1751698000000000 0.4588544700000000 0.8248302000000001 0.2772597200000000 0.4588544700000000 0.7884065500000000 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0.6346061500000000 0.4885956700000000 0.6073460399999999 0.4547571800000000 0.9955691100000000 0.5352993800000000 0.2078212200000000 0.2115934500000000 0.6760762000000000 0.2374646200000000 0.6622020900000001 0.8657960700000000 0.2127053200000000 0.3377979100000000 0.1342039300000000 0.7127053200000000 0.9932221600000000 0.1942635400000000 0.2946246800000000 0.3262554100000000 0.8624989100000000 0.1297082200000000 0.4552401800000000 0.6583383500000000 0.7337590000000001 0.1215987300000000 0.9908480400000000 0.6867627199999999 0.3416616500000000 0.7969018100000000 0.7337590000000001 0.4644827500000000 0.7884065500000000 0.2374646200000000 0.3239238000000000 0.5355172499999998 0.2374646200000000 0.2030981900000000 0.5447598200000000 0.7337590000000001 0.7227402800000000 0.5475704699999999 0.4588544700000000 0.5475704699999999 0.8248302000000001 0.9588544700000000 0.3926539600000000 0.8812496300000000 0.4547571800000000 0.8699396200000000 0.3408716700000000 0.1346061500000000 0.8657960700000000 0.2035939900000000 0.7127053200000000 0.6760762000000000 0.4644827500000000 0.7374646200000000 0.1187503700000000 0.5114043300000000 0.4547571800000000 0.8812496300000000 0.4885956700000000 0.9547571800000000 0.7964060100000000 0.6622020900000001 0.7127053200000000 0.1375010900000000 0.4637565100000000 0.1297082200000000 0.1342039300000000 0.7964060100000000 0.2127053200000000 0.4637565100000000 0.3262554100000000 0.6297082199999999 0.7989586300000000 0.9932221600000000 0.7946246800000000vasp-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 2 3 0.000 0.000 0.000