# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/03dfc8f9-cebd-4d82-bf34-89f129a20ee4/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 Zn3(BO3)2 / Cc (9) / materials id 559949](https://mdr.nims.go.jp/datasets/936c1ffd-a0fb-498c-8616-8fbf6318f581)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 4 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 24Zn 65.39000000 12.00000000 PAW_PBE Zn 06Sep2000 16B 10.81100000 3.00000000 PAW_PBE B 06Sep2000 48O 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 Zn B O 1.0 23.7610116699999985 0.0000000000000000 -0.0363100900000000 0.0000000000000000 5.0465760199999998 0.0000000000000000 -1.9268220199999999 0.0000000000000000 8.2015401499999996 Zn B O 24 16 48Direct 0.6279488500000000 0.8166361799999999 0.6291021600000000 0.8740504900000000 0.6833520900000001 0.8699636900000001 0.7099383400000000 0.1920361600000000 0.4600339400000000 0.5512535100000000 0.3231501500000000 0.4273439600000000 0.7099383400000000 0.8079638400000000 0.9600339400000000 0.7920598100000000 0.3079653400000000 0.0390399800000000 0.8740504900000000 0.3166479100000000 0.3699636900000000 0.5512535100000000 0.6768498500000000 0.9273439600000000 0.7920598100000000 0.6920346600000000 0.5390399800000000 0.6279488500000000 0.1833638200000000 0.1291021600000000 0.9507583600000000 0.8232229799999999 0.5717232200000000 0.9507583600000000 0.1767770200000000 0.0717232200000000 0.1279488500000000 0.3166361800000000 0.6291021600000000 0.3740504900000000 0.1833520900000000 0.8699636900000001 0.2099383400000000 0.6920361600000000 0.4600339400000000 0.0512535100000000 0.8231501500000000 0.4273439600000000 0.2099383400000000 0.3079638400000000 0.9600339400000000 0.2920598100000000 0.8079653400000000 0.0390399800000000 0.3740504900000000 0.8166479100000000 0.3699636900000000 0.0512535100000000 0.1768498500000000 0.9273439600000000 0.2920598100000000 0.1920346600000000 0.5390399800000000 0.1279488500000000 0.6833638200000001 0.1291021600000000 0.4507583600000000 0.3232229800000000 0.5717232200000000 0.4507583600000000 0.6767770200000001 0.0717232200000000 0.9354184100000000 0.6780284400000001 0.2116391500000000 0.6880547000000000 0.6860287600000000 0.2686688100000000 0.8139416500000000 0.1860239600000000 0.7304061300000000 0.5665905500000000 0.8218818500000000 0.2874225800000000 0.5665905500000000 0.1781181500000000 0.7874225800000000 0.6880547000000000 0.3139712400000000 0.7686688100000000 0.8139416500000000 0.8139760400000000 0.2304061300000000 0.9354184100000000 0.3219715600000000 0.7116391500000000 0.4354184100000000 0.1780284400000000 0.2116391500000000 0.1880547000000000 0.1860287600000000 0.2686688100000000 0.3139416500000000 0.6860239600000000 0.7304061300000000 0.0665905500000000 0.3218818500000000 0.2874225800000000 0.0665905500000000 0.6781181500000000 0.7874225800000000 0.1880547000000000 0.8139712400000000 0.7686688100000000 0.3139416500000000 0.3139760400000000 0.2304061300000000 0.4354184100000000 0.8219715599999999 0.7116391500000000 0.9197426399999999 0.5865955500000000 0.7087654500000000 0.9201532500000000 0.1793622100000000 0.5683819800000001 0.8385580300000000 0.3249696400000000 0.8718908800000000 0.5822560800000001 0.0865177800000000 0.2902823400000000 0.7166998900000000 0.1830057000000000 0.9084981500000000 0.9646326300000000 0.1961594400000000 0.8504648700000000 0.9646326300000000 0.8038405600000000 0.3504648700000000 0.8169627100000000 0.0870598700000000 0.2295626900000000 0.6634394600000000 0.1750289000000000 0.6271801299999999 0.7852985800000000 0.6830116700000000 0.0905733400000000 0.6634394600000000 0.8249711000000000 0.1271801300000000 0.9197426399999999 0.4134044500000000 0.2087654500000000 0.9201532500000000 0.8206377900000000 0.0683819800000000 0.5822560800000001 0.9134822200000000 0.7902823400000000 0.6850313299999999 0.4129464200000000 0.2695178400000000 0.8385580300000000 0.6750303600000001 0.3718908800000000 0.5818634200000000 0.3207131700000000 0.9306814100000000 0.5373782100000000 0.6960407200000001 0.1486064800000000 0.6850313299999999 0.5870535800000001 0.7695178400000000 0.8169627100000000 0.9129401300000000 0.7295626900000001 0.5373782100000000 0.3039592800000000 0.6486064800000000 0.7166998900000000 0.8169943000000000 0.4084981500000000 0.7852985800000000 0.3169883300000000 0.5905733399999999 0.5818634200000000 0.6792868300000000 0.4306814100000000 0.4197426400000000 0.0865955500000000 0.7087654500000000 0.4201532500000000 0.6793622100000001 0.5683819800000001 0.3385580300000000 0.8249696399999999 0.8718908800000000 0.0822560800000000 0.5865177800000000 0.2902823400000000 0.2166998900000000 0.6830057000000000 0.9084981500000000 0.4646326300000000 0.6961594400000000 0.8504648700000000 0.4646326300000000 0.3038405600000000 0.3504648700000000 0.3169627100000000 0.5870598700000000 0.2295626900000000 0.1634394600000000 0.6750289000000000 0.6271801299999999 0.2852985800000000 0.1830116700000000 0.0905733400000000 0.1634394600000000 0.3249711000000000 0.1271801300000000 0.4197426400000000 0.9134044500000000 0.2087654500000000 0.4201532500000000 0.3206377900000000 0.0683819800000000 0.0822560800000000 0.4134822200000000 0.7902823400000000 0.1850313300000000 0.9129464200000000 0.2695178400000000 0.3385580300000000 0.1750303600000000 0.3718908800000000 0.0818634200000000 0.8207131700000000 0.9306814100000000 0.0373782100000000 0.1960407200000000 0.1486064800000000 0.1850313300000000 0.0870535800000000 0.7695178400000000 0.3169627100000000 0.4129401300000000 0.7295626900000001 0.0373782100000000 0.8039592799999999 0.6486064800000000 0.2166998900000000 0.3169943000000000 0.4084981500000000 0.2852985800000000 0.8169883300000000 0.5905733399999999 0.0818634200000000 0.1792868300000000 0.4306814100000000vasp-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 4 2 0.000 0.000 0.000