# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/3ec43f19-10df-4ffa-ab66-c3584b6d6c3e/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 LaMg(BO2)5 / P2_1/c (14) / materials id 557758](https://mdr.nims.go.jp/datasets/ffc13e7a-5d7b-4da0-828c-d5dadf6a3ed6)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 1 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 8La 138.90000000 11.00000000 PAW_PBE La 06Sep2000 8Mg 24.30500000 8.00000000 PAW_PBE Mg_pv 13Apr2007 40B 10.81100000 3.00000000 PAW_PBE B 06Sep2000 80O 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 = 525.107700 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 La Mg B O 1.0 8.7753249499999999 0.0000000000000000 0.0244749500000000 0.0000000000000000 7.6226706200000001 0.0000000000000000 -8.3888948499999998 0.0000000000000000 9.4423632000000008 La Mg B O 4 4 20 40Direct 0.0514599300000000 0.8125254500000000 0.2348407100000000 0.9485400700000000 0.3125254500000000 0.2651592900000000 0.9485400700000000 0.1874745500000000 0.7651592899999999 0.0514599300000000 0.6874745500000000 0.7348407100000001 0.5144955400000000 0.5878342999999999 0.1223987400000000 0.4855044600000000 0.0878343000000000 0.3776012600000000 0.4855044600000000 0.4121657000000000 0.8776012600000000 0.5144955400000000 0.9121657000000000 0.6223987400000000 0.0964308100000000 0.3291672500000000 0.6107834400000001 0.5138093900000000 0.1861500100000000 0.0846066000000000 0.2694878400000000 0.5328511200000000 0.5517558300000001 0.4861906100000000 0.6861500100000000 0.4153934000000000 0.7305121600000000 0.0328511200000000 0.9482441699999999 0.3554285000000000 0.0834924100000000 0.7685317700000001 0.9035691900000000 0.8291672500000000 0.8892165600000000 0.9035691900000000 0.6708327500000000 0.3892165600000000 0.6445715000000001 0.9165075900000000 0.2314682300000000 0.6445715000000001 0.5834924100000001 0.7314682299999999 0.7305121600000000 0.4671488800000000 0.4482441700000000 0.1584075500000000 0.0949828500000000 0.5078499500000000 0.0964308100000000 0.1708327500000000 0.1107834400000000 0.8415924500000000 0.9050171500000000 0.4921500500000000 0.1584075500000000 0.4050171500000000 0.0078499500000000 0.4861906100000000 0.8138499900000000 0.9153934000000000 0.8415924500000000 0.5949828500000001 0.9921500500000000 0.5138093900000000 0.3138499900000000 0.5846066000000000 0.2694878400000000 0.9671488800000000 0.0517558300000000 0.3554285000000000 0.4165075900000000 0.2685317700000000 0.3239845200000000 0.5793731400000000 0.3143657200000000 0.7668483500000001 0.5229182999999999 0.3539835500000000 0.2331516500000000 0.4770817000000000 0.6460164500000001 0.0298270700000000 0.2218360100000000 0.4906954000000000 0.8779728200000000 0.9627614799999999 0.6084250900000000 0.6760154800000000 0.0793731400000000 0.1856342800000000 0.2151524800000000 0.2219202200000000 0.7416631600000000 0.6815487200000000 0.6279547599999999 0.4903563300000000 0.5640615800000000 0.3488705100000000 0.0693637600000000 0.0829744400000000 0.8958211400000000 0.9136176600000000 0.2331516500000000 0.0229183000000000 0.1460164500000000 0.7848475200000000 0.7219202200000000 0.7583368400000000 0.9170255600000000 0.1041788600000000 0.0863823400000000 0.4359384200000000 0.6511294900000000 0.9306362400000000 0.9170255600000000 0.3958211400000000 0.5863823400000000 0.9701729300000000 0.7781639900000000 0.5093046000000000 0.5640615800000000 0.1511294900000000 0.5693637600000000 0.4391973400000000 0.6546835500000000 0.6245558700000000 0.7668483500000001 0.9770817000000001 0.8539835500000000 0.0298270700000000 0.2781639900000000 0.9906954000000000 0.4359384200000000 0.8488705100000000 0.4306362400000000 0.3230420600000000 0.4631981700000000 0.1403782700000000 0.5608026600000000 0.1546835500000000 0.8754441300000000 0.5608026600000000 0.3453164500000000 0.3754441300000000 0.7848475200000000 0.7780797800000000 0.2583368400000000 0.0829744400000000 0.6041788600000000 0.4136176600000000 0.6769579400000000 0.9631981700000000 0.3596217300000000 0.4391973400000000 0.8453164500000000 0.1245558700000000 0.3184512800000000 0.1279547600000000 0.0096436700000000 0.9701729300000000 0.7218360100000000 0.0093046000000000 0.6815487200000000 0.8720452400000001 0.9903563300000000 0.6769579400000000 0.5368018299999999 0.8596217300000000 0.2151524800000000 0.2780797800000000 0.2416631600000000 0.6760154800000000 0.4206268600000000 0.6856342799999999 0.1220271800000000 0.4627614800000000 0.8915749100000000 0.3184512800000000 0.3720452400000000 0.5096436700000000 0.8779728200000000 0.5372385200000001 0.1084250900000000 0.1220271800000000 0.0372385200000000 0.3915749100000000 0.3230420600000000 0.0368018300000000 0.6403782700000000 0.3239845200000000 0.9206268600000000 0.8143657200000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 525.107700 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 3 3 2 0.000 0.000 0.000