# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/e9f78dd7-38df-4735-adf7-7e6f4a6049b3/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 Na17Al5O16 / Cm (8) / materials id 559916](https://mdr.nims.go.jp/datasets/c2a7dfb3-fa7a-40dc-ad44-5af6baf49543)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 4 1 4 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 34Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 10Al 26.98100000 3.00000000 PAW_PBE Al 04Jan2001 32O 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 Al O 1.0 5.9647682299999998 0.0000000000000000 -0.0006285400000000 0.0000000000000000 32.9750483400000007 0.0000000000000000 -2.9601924700000000 0.0000000000000000 5.1898536399999999 Na Al O 34 10 32Direct 0.4421778300000000 0.2294215100000000 0.0520522600000000 0.5012616300000000 0.4110932400000000 0.1924805200000000 0.9421778300000000 0.2705784900000000 0.0520522600000000 0.4674169900000000 0.1377097200000000 0.0531550700000000 0.0374820100000000 0.4542960600000000 0.6127271500000000 0.0012616300000000 0.0889067600000000 0.1924805200000000 0.9972510100000000 0.1766974300000000 0.4650279600000000 0.5379461900000000 0.1367443600000000 0.5838594200000000 0.0379461900000000 0.3632556400000000 0.5838594200000000 0.9674155200000000 0.4540290400000000 0.0783625500000000 0.4972510100000000 0.3233025700000000 0.4650279600000000 0.0537607400000000 0.2755507800000000 0.6260185700000001 0.9674169900000000 0.3622902800000000 0.0531550700000000 0.4674155200000000 0.0459709600000000 0.0783625500000000 0.5374820100000000 0.0457039400000000 0.6127271500000000 0.5537607400000000 0.2244492200000000 0.6260185700000001 0.0017219200000000 0.0000000000000000 0.4886047600000000 0.9421778300000000 0.7294215100000000 0.0520522600000000 0.0012616300000000 0.9110932400000000 0.1924805200000000 0.4421778300000000 0.7705784900000000 0.0520522600000000 0.9674169900000000 0.6377097199999999 0.0531550700000000 0.5374820100000000 0.9542960600000000 0.6127271500000000 0.5012616300000000 0.5889067600000000 0.1924805200000000 0.4972510100000000 0.6766974299999999 0.4650279600000000 0.0379461900000000 0.6367443600000000 0.5838594200000000 0.5379461900000000 0.8632556400000000 0.5838594200000000 0.4674155200000000 0.9540290400000000 0.0783625500000000 0.9972510100000000 0.8233025700000001 0.4650279600000000 0.5537607400000000 0.7755507800000000 0.6260185700000001 0.4674169900000000 0.8622902800000000 0.0531550700000000 0.9674155200000000 0.5459709600000000 0.0783625500000000 0.0374820100000000 0.5457039400000000 0.6127271500000000 0.0537607400000000 0.7244492200000000 0.6260185700000001 0.5017219200000000 0.5000000000000000 0.4886047600000000 0.0034207300000000 0.1803286500000000 0.9928534100000000 0.5034207300000000 0.3196713500000000 0.9928534100000000 0.0030892600000000 0.0901752100000000 0.6740494600000000 0.5030892600000000 0.4098247900000000 0.6740494600000000 0.0025351100000000 0.0000000000000000 0.0046556100000000 0.5034207300000000 0.6803286500000000 0.9928534100000000 0.0034207300000000 0.8196713500000000 0.9928534100000000 0.5030892600000000 0.5901752100000000 0.6740494600000000 0.0030892600000000 0.9098247900000000 0.6740494600000000 0.5025351100000000 0.5000000000000000 0.0046556100000000 0.7158011300000000 0.0000000000000000 0.0184817100000000 0.9955479200000000 0.2166183300000000 0.7703565999999999 0.5022356900000000 0.3702266000000000 0.8759026300000000 0.0029268400000000 0.0433347300000000 0.8257557100000000 0.2180666600000000 0.4070104100000000 0.3747372400000000 0.5029268400000000 0.4566652700000000 0.8257557100000000 0.2878538400000000 0.0000000000000000 0.3038552200000000 0.7912353500000000 0.3142791900000000 0.2911019800000000 0.7211892000000000 0.1855232600000000 0.0169702400000000 0.2912353500000000 0.1857208100000000 0.2911019800000000 0.7180666600000001 0.0929895900000000 0.3747372400000000 0.2881204100000000 0.0931038100000000 0.6577906099999999 0.4955479200000000 0.2833816700000000 0.7703565999999999 0.7881204100000000 0.4068961900000000 0.6577906099999999 0.0022356900000000 0.1297734000000000 0.8759026300000000 0.2211892000000000 0.3144767400000000 0.0169702400000000 0.2158011300000000 0.5000000000000000 0.0184817100000000 0.4955479200000000 0.7166183300000000 0.7703565999999999 0.0022356900000000 0.8702266000000000 0.8759026300000000 0.5029268400000000 0.5433347300000000 0.8257557100000000 0.7180666600000001 0.9070104100000000 0.3747372400000000 0.0029268400000000 0.9566652700000000 0.8257557100000000 0.7878538400000000 0.5000000000000000 0.3038552200000000 0.2912353500000000 0.8142791900000000 0.2911019800000000 0.2211892000000000 0.6855232600000001 0.0169702400000000 0.7912353500000000 0.6857208100000001 0.2911019800000000 0.2180666600000000 0.5929895900000000 0.3747372400000000 0.7881204100000000 0.5931038100000000 0.6577906099999999 0.9955479200000000 0.7833816700000000 0.7703565999999999 0.2881204100000000 0.9068961900000000 0.6577906099999999 0.5022356900000000 0.6297733999999999 0.8759026300000000 0.7211892000000000 0.8144767400000000 0.0169702400000000vasp-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 4 1 4 0.000 0.000 0.000