# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/eabb9f7c-c67a-42f0-b4d6-cd4bd945bc35/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 NaSb5O13 / Ama2 (40) / materials id 766341](https://mdr.nims.go.jp/datasets/9282e9d2-15b6-4183-a955-8e8bd313b36b)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 2 3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 4Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 20Sb 121.75000000 5.00000000 PAW_PBE Sb 06Sep2000 52O 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 Sb O 1.0 16.6139736900000017 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.9541293700000004 0.0000000000000000 0.0000000000000000 0.0000000000000000 6.6161387899999999 Na Sb O 4 20 52Direct 0.2500000000000000 0.1267425600000000 0.0014265000000000 0.7500000000000000 0.8732574399999999 0.0014265000000000 0.2500000000000000 0.6267425600000001 0.5014265000000000 0.7500000000000000 0.3732574400000000 0.5014265000000000 0.5797733800000000 0.6147254700000000 0.0014513000000000 0.4202266200000000 0.3852745300000000 0.0014513000000000 0.5000000000000000 0.5000000000000000 0.5014532700000001 0.9202266200000000 0.6147254700000000 0.0014513000000000 0.0797733800000000 0.3852745300000000 0.0014513000000000 0.0000000000000000 0.5000000000000000 0.5014532700000001 0.8608741100000000 0.2322706400000000 0.0014489500000000 0.6391258900000000 0.2322706400000000 0.0014489500000000 0.3608741100000000 0.7677293600000000 0.0014489500000000 0.1391258900000000 0.7677293600000000 0.0014489500000000 0.5797733800000000 0.1147254700000000 0.5014513000000000 0.4202266200000000 0.8852745300000000 0.5014513000000000 0.5000000000000000 0.0000000000000000 0.0014532700000000 0.9202266200000000 0.1147254700000000 0.5014513000000000 0.0797733800000000 0.8852745300000000 0.5014513000000000 0.0000000000000000 0.0000000000000000 0.0014532700000000 0.8608741100000000 0.7322706400000000 0.5014489500000000 0.6391258900000000 0.7322706400000000 0.5014489500000000 0.3608741100000000 0.2677293600000000 0.5014489500000000 0.1391258900000000 0.2677293600000000 0.5014489500000000 0.3636905900000000 0.2673958300000000 0.8008195900000000 0.8636905900000000 0.7326041700000000 0.8008195900000000 0.6363094100000000 0.7326041700000000 0.8008195900000000 0.1363094100000000 0.2673958300000000 0.8008195900000000 0.5000000000000000 0.5000000000000000 0.8124398700000000 0.0000000000000000 0.5000000000000000 0.8124398700000000 0.1154036700000000 0.9865758300000000 0.0014521500000000 0.2500000000000000 0.8310593500000000 0.0014383700000000 0.4894670900000000 0.7736771900000000 0.0014434000000000 0.0105329100000000 0.7736771900000000 0.0014434000000000 0.1549155800000000 0.5524350000000000 0.0014540500000000 0.6549155799999999 0.4475650000000000 0.0014540500000000 0.9894670900000000 0.2263228100000000 0.0014434000000000 0.8845963300000000 0.0134241700000000 0.0014521500000000 0.8450844200000001 0.4475650000000000 0.0014540500000000 0.6154036700000001 0.0134241700000000 0.0014521500000000 0.7500000000000000 0.1689406500000000 0.0014383700000000 0.5105329100000000 0.2263228100000000 0.0014434000000000 0.3845963300000000 0.9865758300000000 0.0014521500000000 0.3450844200000000 0.5524350000000000 0.0014540500000000 0.0000000000000000 0.5000000000000000 0.1904663800000000 0.5000000000000000 0.5000000000000000 0.1904663800000000 0.8636960600000000 0.7326151700000000 0.2020795900000000 0.1363039400000000 0.2673848300000000 0.2020795900000000 0.3636960600000000 0.2673848300000000 0.2020795900000000 0.6363039400000000 0.7326151700000000 0.2020795900000000 0.3636905900000000 0.7673958300000000 0.3008195900000000 0.8636905900000000 0.2326041700000000 0.3008195900000000 0.6363094100000000 0.2326041700000000 0.3008195900000000 0.1363094100000000 0.7673958300000000 0.3008195900000000 0.5000000000000000 0.0000000000000000 0.3124398700000000 0.0000000000000000 0.0000000000000000 0.3124398700000000 0.1154036700000000 0.4865758300000000 0.5014521500000000 0.2500000000000000 0.3310593500000000 0.5014383700000000 0.4894670900000000 0.2736771900000000 0.5014434000000000 0.0105329100000000 0.2736771900000000 0.5014434000000000 0.1549155800000000 0.0524350000000000 0.5014540500000000 0.6549155799999999 0.9475650000000000 0.5014540500000000 0.9894670900000000 0.7263228100000000 0.5014434000000000 0.8845963300000000 0.5134241700000000 0.5014521500000000 0.8450844200000001 0.9475650000000000 0.5014540500000000 0.6154036700000001 0.5134241700000000 0.5014521500000000 0.7500000000000000 0.6689406500000000 0.5014383700000000 0.5105329100000000 0.7263228100000000 0.5014434000000000 0.3845963300000000 0.4865758300000000 0.5014521500000000 0.3450844200000000 0.0524350000000000 0.5014540500000000 0.0000000000000000 0.0000000000000000 0.6904663799999999 0.5000000000000000 0.0000000000000000 0.6904663799999999 0.8636960600000000 0.2326151700000000 0.7020795900000000 0.1363039400000000 0.7673848300000000 0.7020795900000000 0.3636960600000000 0.7673848300000000 0.7020795900000000 0.6363039400000000 0.2326151700000000 0.7020795900000000vasp-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 2 3 0.000 0.000 0.000