# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/d8c4b47a-0743-48af-b7a9-ef98fd52b64e/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 Na2SrAl4(SiO4)4 / Iba2 (45) / materials id 556356](https://mdr.nims.go.jp/datasets/9e5c58f3-da11-4b5b-a266-e842911e3741)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 8Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 4Sr 87.62000000 10.00000000 PAW_PBE Sr_sv 07Sep2000 16Al 26.98100000 3.00000000 PAW_PBE Al 04Jan2001 16Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 64O 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 Sr Al Si O 1.0 8.4330458600000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 9.8846008300000001 0.0000000000000000 0.0000000000000000 0.0000000000000000 16.8047209500000001 Na Sr Al Si O 8 4 16 16 64Direct 0.9606695900000000 0.1772665900000000 0.4043113100000000 0.4606695900000000 0.3227334100000000 0.4043113100000000 0.5393304100000000 0.6772665900000000 0.4043113100000000 0.0393304100000000 0.8227334100000000 0.4043113100000000 0.4606695900000000 0.6772665900000000 0.9043113100000000 0.9606695900000000 0.8227334100000000 0.9043113100000000 0.0393304100000000 0.1772665900000000 0.9043113100000000 0.5393304100000000 0.3227334100000000 0.9043113100000000 0.5000000000000000 0.5000000000000000 0.1541768100000000 0.0000000000000000 0.0000000000000000 0.1541768100000000 0.0000000000000000 0.0000000000000000 0.6541768100000001 0.5000000000000000 0.5000000000000000 0.6541768100000001 0.9307077600000000 0.3067542200000000 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0.1441387700000000 0.7742148700000000 0.5029375600000000 0.7764970500000000 0.6578813700000000 0.7737192100000000 0.4042499800000000 0.7468519900000000 0.3867221100000000 0.6413602400000000 0.5307394700000000 0.7817862700000000 0.0018183400000000 0.9079508500000000 0.2817862700000000 0.4981816600000000 0.9079508500000000 0.9226941100000000 0.6430581300000000 0.9959623200000000 0.7730484600000000 0.5773059100000000 0.5593516599999999 0.2730484600000000 0.9226940900000000 0.5593516599999999vasp-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 2 1 0.000 0.000 0.000