# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/0d4ebffe-ccef-4dcf-943f-f12f9cdfc407/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 Sr2AlH7 / C2/c (15) / materials id 697977](https://mdr.nims.go.jp/datasets/dd1b0451-7130-4063-9aa9-72e46054a0d8)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 16Sr 87.62000000 10.00000000 PAW_PBE Sr_sv 07Sep2000 8Al 26.98100000 3.00000000 PAW_PBE Al 04Jan2001 56H 1.00000000 1.00000000 PAW_PBE H 15Jun2001 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 325.000000 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 Sr Al H 1.0 13.2669036800000004 0.0000000000000000 -0.0136796500000000 0.0000000000000000 9.5058921999999999 0.0000000000000000 -3.3418012899999998 0.0000000000000000 7.0872636499999997 Sr Al H 16 8 56Direct 0.4069954100000000 0.3311356500000000 0.4803381900000000 0.5930045900000001 0.3311356500000000 0.0196618100000000 0.0930045900000000 0.1688643500000000 0.5196618100000000 0.9069954099999999 0.1688643500000000 0.9803381900000000 0.1384336500000000 0.5716745000000000 0.4749008200000000 0.3615663500000000 0.0716745000000000 0.0250991800000000 0.3615663500000000 0.9283255000000000 0.5250991800000000 0.1384336500000000 0.4283255000000000 0.9749008200000000 0.9069954099999999 0.8311356500000000 0.4803381900000000 0.0930045900000000 0.8311356500000000 0.0196618100000000 0.5930045900000001 0.6688643500000000 0.5196618100000000 0.4069954100000000 0.6688643500000000 0.9803381900000000 0.6384336500000001 0.0716745000000000 0.4749008200000000 0.8615663500000000 0.5716745000000000 0.0250991800000000 0.8615663500000000 0.4283255000000000 0.5250991800000000 0.6384336500000001 0.9283255000000000 0.9749008200000000 0.3254050600000000 0.3537252600000000 0.8048610300000000 0.1745949400000000 0.8537252600000000 0.6951389700000000 0.1745949400000000 0.1462747400000000 0.1951389700000000 0.3254050600000000 0.6462747400000000 0.3048610300000000 0.8254050600000000 0.8537252600000000 0.8048610300000000 0.6745949400000000 0.3537252600000000 0.6951389700000000 0.6745949400000000 0.6462747400000000 0.1951389700000000 0.8254050600000000 0.1462747400000000 0.3048610300000000 0.2449713700000000 0.3546980100000000 0.5647240300000000 0.2550286300000000 0.8546980100000000 0.9352759700000000 0.2550286300000000 0.1453019900000000 0.4352759700000000 0.2449713700000000 0.6453019900000000 0.0647240300000000 0.4049794800000000 0.2081226700000000 0.7764618500000000 0.5950205200000001 0.2081226700000000 0.7235381500000000 0.0950205200000000 0.2918773300000000 0.2235381500000000 0.9049794799999999 0.2918773300000000 0.2764618500000000 0.2298043400000000 0.2431393100000000 0.8342475800000000 0.7701956599999999 0.2431393100000000 0.6657524200000000 0.2701956600000000 0.2568606900000000 0.1657524200000000 0.7298043400000001 0.2568606900000000 0.3342475800000000 0.4111507900000000 0.3361723800000000 0.0461790300000000 0.5888492100000000 0.3361723800000000 0.4538209700000000 0.0888492100000000 0.1638276200000000 0.9538209700000000 0.9111507900000000 0.1638276200000000 0.5461790300000000 0.2560045900000000 0.5029390700000000 0.8239227800000000 0.2439954100000000 0.0029390700000000 0.6760772200000000 0.2439954100000000 0.9970609300000000 0.1760772200000000 0.2560045900000000 0.4970609300000000 0.3239227800000000 0.4260263300000000 0.4618920400000000 0.7878182900000000 0.0739736700000000 0.9618920399999999 0.7121817100000001 0.0739736700000000 0.0381079600000000 0.2121817100000000 0.4260263300000000 0.5381079600000001 0.2878182900000000 0.5594449300000000 0.1019004000000000 0.1263704500000000 0.4405550700000000 0.1019004000000000 0.3736295500000000 0.9405550700000000 0.3980996000000000 0.8736295500000000 0.0594449300000000 0.3980996000000000 0.6263704500000000 0.7449713700000000 0.8546980100000000 0.5647240300000000 0.7550286300000000 0.3546980100000000 0.9352759700000000 0.7550286300000000 0.6453019900000000 0.4352759700000000 0.7449713700000000 0.1453019900000000 0.0647240300000000 0.9049794799999999 0.7081226700000001 0.7764618500000000 0.0950205200000000 0.7081226700000001 0.7235381500000000 0.5950205200000001 0.7918773299999999 0.2235381500000000 0.4049794800000000 0.7918773299999999 0.2764618500000000 0.7298043400000001 0.7431393100000000 0.8342475800000000 0.2701956600000000 0.7431393100000000 0.6657524200000000 0.7701956599999999 0.7568606900000000 0.1657524200000000 0.2298043400000000 0.7568606900000000 0.3342475800000000 0.9111507900000000 0.8361723800000000 0.0461790300000000 0.0888492100000000 0.8361723800000000 0.4538209700000000 0.5888492100000000 0.6638276200000000 0.9538209700000000 0.4111507900000000 0.6638276200000000 0.5461790300000000 0.7560045900000000 0.0029390700000000 0.8239227800000000 0.7439954100000000 0.5029390700000000 0.6760772200000000 0.7439954100000000 0.4970609300000000 0.1760772200000000 0.7560045900000000 0.9970609300000000 0.3239227800000000 0.9260263300000000 0.9618920399999999 0.7878182900000000 0.5739736700000000 0.4618920400000000 0.7121817100000001 0.5739736700000000 0.5381079600000001 0.2121817100000000 0.9260263300000000 0.0381079600000000 0.2878182900000000 0.0594449300000000 0.6019004000000000 0.1263704500000000 0.9405550700000000 0.6019004000000000 0.3736295500000000 0.4405550700000000 0.8980996000000000 0.8736295500000000 0.5594449300000000 0.8980996000000000 0.6263704500000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 325.000000 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