# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/2b0c4b84-17bf-4041-8295-df8c21de0d56/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 Na2Zn5(PO4)4 / Pbcn (60) / materials id 560934](https://mdr.nims.go.jp/datasets/e9e79c7c-8be6-4082-aa7e-44caf7327954)
## 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 20Zn 65.39000000 12.00000000 PAW_PBE Zn 06Sep2000 16P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 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 Zn P O 1.0 10.4219641500000009 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.5245312000000002 0.0000000000000000 0.0000000000000000 0.0000000000000000 16.5908359499999989 Na Zn P O 8 20 16 64Direct 0.3333920500000000 0.7643066700000000 0.2959797700000000 0.1666079500000000 0.7356933299999999 0.7959797700000000 0.6666079499999999 0.7643066700000000 0.2040202300000000 0.8333920500000001 0.7356933299999999 0.7040202300000000 0.1666079500000000 0.2643066700000000 0.2959797700000000 0.8333920500000001 0.2643066700000000 0.2040202300000000 0.6666079499999999 0.2356933300000000 0.7040202300000000 0.3333920500000000 0.2356933300000000 0.7959797700000000 0.6607100900000000 0.6119913500000000 0.4212582500000000 0.1650402100000000 0.4214971600000000 0.9462629500000000 0.3392899100000000 0.6119913500000000 0.0787417500000000 0.3349597900000000 0.0785028400000000 0.4462629500000000 0.6650402100000000 0.0785028400000000 0.0537370500000000 0.5000000000000000 0.1947851600000000 0.2500000000000000 0.6607100900000000 0.3880086500000000 0.9212582499999999 0.8349597900000000 0.4214971600000000 0.5537370500000001 0.8349597900000000 0.5785028400000001 0.0537370500000000 0.0000000000000000 0.3052148400000000 0.7500000000000000 0.0000000000000000 0.6947851600000000 0.2500000000000000 0.1607100900000000 0.8880086500000000 0.5787417500000001 0.6650402100000000 0.9214971600000000 0.5537370500000001 0.3349597900000000 0.9214971600000000 0.9462629500000000 0.1650402100000000 0.5785028400000001 0.4462629500000000 0.5000000000000000 0.8052148400000000 0.7500000000000000 0.8392899100000000 0.1119913500000000 0.4212582500000000 0.3392899100000000 0.3880086500000000 0.5787417500000001 0.8392899100000000 0.8880086500000000 0.9212582499999999 0.1607100900000000 0.1119913500000000 0.0787417500000000 0.0938677600000000 0.4453841900000000 0.1330649300000000 0.9061322400000000 0.5546158100000000 0.8669350700000000 0.5938677600000000 0.0546158100000000 0.8669350700000000 0.0938677600000000 0.5546158100000000 0.6330649300000000 0.9061322400000000 0.4453841900000000 0.3669350700000000 0.5882000700000001 0.5946277900000000 0.6058269300000000 0.5938677600000000 0.9453841900000000 0.3669350700000000 0.0882000700000000 0.0946277900000000 0.8941730700000000 0.9117999300000000 0.9053722100000000 0.1058269300000000 0.4117999300000000 0.5946277900000000 0.8941730700000000 0.4061322400000000 0.9453841900000000 0.1330649300000000 0.5882000700000001 0.4053722100000000 0.1058269300000000 0.4061322400000000 0.0546158100000000 0.6330649300000000 0.4117999300000000 0.4053722100000000 0.3941730700000000 0.0882000700000000 0.9053722100000000 0.3941730700000000 0.9117999300000000 0.0946277900000000 0.6058269300000000 0.3320867400000000 0.5582604099999999 0.3944090900000000 0.8803766700000000 0.8054509100000000 0.1810167900000000 0.3320867400000000 0.4417395900000000 0.8944090900000000 0.3265041000000000 0.0034345300000000 0.0580655700000000 0.6318448900000000 0.2249018800000000 0.8439707000000000 0.1196233300000000 0.8054509100000000 0.3189832100000000 0.0553737900000000 0.0653613200000000 0.6006704700000001 0.9495114800000000 0.5546207900000000 0.6126830999999999 0.1318448900000000 0.2750981200000000 0.1560293000000000 0.4446262100000000 0.4346386800000000 0.1006704700000000 0.6734959000000000 0.0034345300000000 0.4419344300000000 0.6734959000000000 0.9965654700000000 0.9419344300000000 0.0504885200000000 0.5546207900000000 0.8873169000000000 0.0504885200000000 0.4453792100000000 0.3873169000000000 0.8265041000000000 0.4965654700000000 0.9419344300000000 0.1343113900000000 0.8019940500000000 0.4684607100000000 0.9495114800000000 0.4453792100000000 0.1126831000000000 0.0553737900000000 0.9346386799999999 0.1006704700000000 0.8721760600000000 0.5520359500000001 0.2958031500000000 0.5553737900000000 0.4346386800000000 0.3993295300000000 0.8681551100000000 0.7249018800000000 0.8439707000000000 0.6343113899999999 0.3019940500000000 0.0315392900000000 0.1734959000000000 0.4965654700000000 0.5580655700000000 0.5504885200000000 0.9453792100000000 0.1126831000000000 0.5504885200000000 0.0546207900000000 0.6126830999999999 0.1679132600000000 0.9417395900000000 0.8944090900000000 0.6278239400000001 0.9479640499999999 0.7958031500000000 0.3265041000000000 0.9965654700000000 0.5580655700000000 0.3803766700000000 0.3054509100000000 0.3189832100000000 0.3656886100000000 0.3019940500000000 0.4684607100000000 0.3721760600000000 0.0520359500000000 0.2041968500000000 0.6196233300000000 0.6945490900000000 0.6810167899999999 0.6679132600000000 0.4417395900000000 0.6055909100000000 0.8656886100000000 0.8019940500000000 0.0315392900000000 0.8721760600000000 0.4479640500000000 0.7958031500000000 0.6278239400000001 0.0520359500000000 0.2958031500000000 0.6343113899999999 0.6980059500000000 0.5315392900000000 0.1343113900000000 0.1980059500000000 0.9684607100000000 0.4446262100000000 0.5653613200000001 0.6006704700000001 0.1318448900000000 0.7249018800000000 0.6560292999999999 0.9446262100000000 0.9346386799999999 0.3993295300000000 0.8656886100000000 0.1980059500000000 0.5315392900000000 0.8320867400000000 0.0582604100000000 0.1055909100000000 0.3721760600000000 0.9479640499999999 0.7041968500000000 0.5553737900000000 0.5653613200000001 0.8993295300000000 0.3656886100000000 0.6980059500000000 0.9684607100000000 0.1734959000000000 0.5034345300000000 0.0580655700000000 0.4495114800000000 0.0546207900000000 0.8873169000000000 0.6318448900000000 0.7750981200000000 0.3439707000000000 0.1679132600000000 0.0582604100000000 0.3944090900000000 0.3681551100000000 0.2249018800000000 0.6560292999999999 0.4495114800000000 0.9453792100000000 0.3873169000000000 0.6679132600000000 0.5582604099999999 0.1055909100000000 0.3803766700000000 0.6945490900000000 0.8189832100000000 0.1196233300000000 0.1945490900000000 0.8189832100000000 0.8320867400000000 0.9417395900000000 0.6055909100000000 0.3681551100000000 0.7750981200000000 0.1560293000000000 0.8265041000000000 0.5034345300000000 0.4419344300000000 0.8803766700000000 0.1945490900000000 0.6810167899999999 0.1278239400000000 0.4479640500000000 0.7041968500000000 0.6196233300000000 0.3054509100000000 0.1810167900000000 0.1278239400000000 0.5520359500000001 0.2041968500000000 0.9446262100000000 0.0653613200000000 0.8993295300000000 0.8681551100000000 0.2750981200000000 0.3439707000000000vasp-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