# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/c4bb5451-c18e-45a8-bf30-72b4a3efd55a/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 Tm4(B2O5)3 / C2/c (15) / materials id 772919](https://mdr.nims.go.jp/datasets/4ba3dfe9-f978-4e1b-a36b-28ebcff9c5ad)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 5 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 16Tm 168.93000000 9.00000000 PAW_PBE Tm_3 20Jan2003 24B 10.81100000 3.00000000 PAW_PBE B 06Sep2000 60O 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 Tm B O 1.0 11.5277694200000003 0.0000000000000000 0.0016664200000000 0.0000000000000000 4.3291322900000004 0.0000000000000000 -2.0497003000000000 0.0000000000000000 18.3411351399999987 Tm B O 16 24 60Direct 0.3638261300000000 0.7138070000000001 0.1961301000000000 0.3630115700000000 0.7021487799999999 0.3990816000000000 0.3638261300000000 0.2861930000000000 0.6961301000000000 0.3630115700000000 0.2978512200000000 0.8990816000000000 0.1369884300000000 0.2021487800000000 0.1009184000000000 0.1361738700000000 0.2138070000000000 0.3038699000000000 0.1369884300000000 0.7978512200000000 0.6009184000000001 0.1361738700000000 0.7861930000000000 0.8038699000000000 0.8638261300000000 0.2138070000000000 0.1961301000000000 0.8630115700000001 0.2021487800000000 0.3990816000000000 0.8638261300000000 0.7861930000000000 0.6961301000000000 0.8630115700000001 0.7978512200000000 0.8990816000000000 0.6369884299999999 0.7021487799999999 0.1009184000000000 0.6361738699999999 0.7138070000000001 0.3038699000000000 0.6369884299999999 0.2978512200000000 0.6009184000000001 0.6361738699999999 0.2861930000000000 0.8038699000000000 0.4057312200000000 0.2043840900000000 0.0867049800000000 0.4304317700000000 0.2325754700000000 0.3054717900000000 0.3319389600000000 0.6884963100000000 0.0249704500000000 0.4057312200000000 0.7956159100000000 0.5867049799999999 0.4304317700000000 0.7674245300000000 0.8054717900000000 0.3319389600000000 0.3115036900000000 0.5249704500000000 0.1680610400000000 0.1884963100000000 0.4750295500000000 0.0695682300000000 0.7325754700000000 0.1945282100000000 0.0942687800000000 0.7043840900000000 0.4132950200000000 0.1680610400000000 0.8115036900000000 0.9750295500000000 0.0695682300000000 0.2674245300000000 0.6945282100000000 0.0942687800000000 0.2956159100000000 0.9132950200000000 0.9057312200000001 0.7043840900000000 0.0867049800000000 0.9304317700000000 0.7325754700000000 0.3054717900000000 0.8319389600000000 0.1884963100000000 0.0249704500000000 0.9057312200000001 0.2956159100000000 0.5867049799999999 0.9304317700000000 0.2674245300000000 0.8054717900000000 0.8319389600000000 0.8115036900000000 0.5249704500000000 0.6680610400000000 0.6884963100000000 0.4750295500000000 0.5695682300000000 0.2325754700000000 0.1945282100000000 0.5942687799999999 0.2043840900000000 0.4132950200000000 0.6680610400000000 0.3115036900000000 0.9750295500000000 0.5695682300000000 0.7674245300000000 0.6945282100000000 0.5942687799999999 0.7956159100000000 0.9132950200000000 0.4825146600000000 0.3274341800000000 0.3799147600000000 0.4180332200000000 0.8682605200000000 0.0707479500000000 0.4336361800000000 0.9024237800000000 0.3025963400000000 0.3729969200000000 0.3741537400000000 0.0187346900000000 0.4825146600000000 0.6725658200000000 0.8799147600000000 0.4180332200000000 0.1317394800000000 0.5707479500000000 0.3220098700000000 0.2421411000000000 0.1397501700000000 0.4336361800000000 0.0975762200000000 0.8025963400000000 0.3729969200000000 0.6258462600000000 0.5187346900000001 0.3156169000000000 0.3745218100000000 0.2955694800000000 0.2900555000000000 0.2007398600000000 0.4490596900000000 0.2099445000000000 0.7007398600000000 0.0509403100000000 0.3220098700000000 0.7578589000000000 0.6397501700000000 0.3156169000000000 0.6254781899999999 0.7955694799999999 0.1843831000000000 0.8745218100000001 0.2044305200000000 0.1779901300000000 0.7421411000000000 0.3602498300000000 0.2900555000000000 0.7992601400000000 0.9490596900000000 0.2099445000000000 0.2992601400000000 0.5509403100000000 0.1843831000000000 0.1254781900000000 0.7044305200000001 0.1270030800000000 0.8741537400000000 0.4812653100000000 0.0663638200000000 0.4024237800000000 0.1974036600000000 0.1779901300000000 0.2578589000000000 0.8602498300000000 0.0819667800000000 0.3682605200000000 0.4292520500000000 0.0174853400000000 0.8274341800000000 0.1200852400000000 0.0000000000000000 0.8753337600000000 0.2500000000000000 0.1270030800000000 0.1258462600000000 0.9812653099999999 0.0663638200000000 0.5975762200000000 0.6974036600000000 0.0819667800000000 0.6317394800000000 0.9292520500000000 0.0174853400000000 0.1725658200000000 0.6200852400000000 0.5000000000000000 0.6246662400000000 0.7500000000000000 0.9825146600000000 0.8274341800000000 0.3799147600000000 0.9180332200000000 0.3682605200000000 0.0707479500000000 0.9336361800000000 0.4024237800000000 0.3025963400000000 0.8729969200000001 0.8741537400000000 0.0187346900000000 0.9825146600000000 0.1725658200000000 0.8799147600000000 0.9180332200000000 0.6317394800000000 0.5707479500000000 0.8220098700000000 0.7421411000000000 0.1397501700000000 0.9336361800000000 0.5975762200000000 0.8025963400000000 0.8729969200000001 0.1258462600000000 0.5187346900000001 0.8156169000000000 0.8745218100000001 0.2955694800000000 0.7900555000000000 0.7007398600000000 0.4490596900000000 0.7099445000000000 0.2007398600000000 0.0509403100000000 0.8220098700000000 0.2578589000000000 0.6397501700000000 0.8156169000000000 0.1254781900000000 0.7955694799999999 0.6843831000000000 0.3745218100000000 0.2044305200000000 0.6779901300000000 0.2421411000000000 0.3602498300000000 0.7900555000000000 0.2992601400000000 0.9490596900000000 0.7099445000000000 0.7992601400000000 0.5509403100000000 0.6843831000000000 0.6254781899999999 0.7044305200000001 0.6270030799999999 0.3741537400000000 0.4812653100000000 0.5663638200000001 0.9024237800000000 0.1974036600000000 0.6779901300000000 0.7578589000000000 0.8602498300000000 0.5819667800000000 0.8682605200000000 0.4292520500000000 0.5174853400000000 0.3274341800000000 0.1200852400000000 0.5000000000000000 0.3753337600000000 0.2500000000000000 0.6270030799999999 0.6258462600000000 0.9812653099999999 0.5663638200000001 0.0975762200000000 0.6974036600000000 0.5819667800000000 0.1317394800000000 0.9292520500000000 0.5174853400000000 0.6725658200000000 0.6200852400000000 0.0000000000000000 0.1246662400000000 0.7500000000000000vasp-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 5 1 0.000 0.000 0.000