# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/1a2573e9-f5a9-4227-a52f-eae84ea4e8fa/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 Na2TiZn2SiO7 / Pbca (61) / materials id 13810](https://mdr.nims.go.jp/datasets/6d54ebb4-7623-4c29-9289-8548a95f2105)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 4 1 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 56O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 16Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 8Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 8Ti 47.88000000 10.00000000 PAW_PBE Ti_pv 07Sep2000 16Zn 65.39000000 12.00000000 PAW_PBE Zn 06Sep2000 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 O Na Si Ti Zn 1.0 5.1866451900000001 0.0000000000000000 0.0000000000000000 0.0000000000000000 20.0813285899999983 0.0000000000000000 0.0000000000000000 0.0000000000000000 11.7128020100000008 O Na Si Ti Zn 56 16 8 8 16Direct 0.6974429300000000 0.3476487100000000 0.3503692300000000 0.1974429300000000 0.1523512900000000 0.6496307700000000 0.8025570700000000 0.6523512899999999 0.8503692300000000 0.3025570700000000 0.8476487100000000 0.1496307700000000 0.3025570700000000 0.6523512899999999 0.6496307700000000 0.8025570700000000 0.8476487100000000 0.3503692300000000 0.1974429300000000 0.3476487100000000 0.1496307700000000 0.6974429300000000 0.1523512900000000 0.8503692300000000 0.6515140100000000 0.0981843100000000 0.0597490500000000 0.1515140100000000 0.4018156900000000 0.9402509500000000 0.8484859900000000 0.9018156900000001 0.5597490500000000 0.3484859900000000 0.5981843099999999 0.4402509500000000 0.3484859900000000 0.9018156900000001 0.9402509500000000 0.8484859900000000 0.5981843099999999 0.0597490500000000 0.1515140100000000 0.0981843100000000 0.4402509500000000 0.6515140100000000 0.4018156900000000 0.5597490500000000 0.6640446900000000 0.4790802800000000 0.3684230200000000 0.1640446900000000 0.0209197200000000 0.6315769800000000 0.8359553100000000 0.5209197200000000 0.8684230200000000 0.3359553100000000 0.9790802800000000 0.1315769800000000 0.3359553100000000 0.5209197200000000 0.6315769800000000 0.8359553100000000 0.9790802800000000 0.3684230200000000 0.1640446900000000 0.4790802800000000 0.1315769800000000 0.6640446900000000 0.0209197200000000 0.8684230200000000 0.9517242200000000 0.2136125900000000 0.3050136500000000 0.5849608700000000 0.1084132400000000 0.2965558200000000 0.4517242200000000 0.2863874100000000 0.6949863500000000 0.0482757800000000 0.7136125900000000 0.1949863500000000 0.0482757800000000 0.7863874100000000 0.6949863500000000 0.5482757800000000 0.7136125900000000 0.3050136500000000 0.4517242200000000 0.2136125900000000 0.1949863500000000 0.9517242200000000 0.2863874100000000 0.8050136500000000 0.5918605299999999 0.4167418100000000 0.0608100300000000 0.0918605300000000 0.0832581900000000 0.9391899700000000 0.9081394700000001 0.5832581900000000 0.5608100300000001 0.4081394700000000 0.9167418100000000 0.4391899700000000 0.4081394700000000 0.5832581900000000 0.9391899700000000 0.9081394700000001 0.9167418100000000 0.0608100300000000 0.0918605300000000 0.4167418100000000 0.4391899700000000 0.5918605299999999 0.0832581900000000 0.5608100300000001 0.8972968900000000 0.2242712000000000 0.0685923000000000 0.3972968900000000 0.2757288000000000 0.9314077000000001 0.6027031100000000 0.7757288000000000 0.5685922999999999 0.1027031100000000 0.7242712000000000 0.4314077000000000 0.1027031100000000 0.7757288000000000 0.9314077000000001 0.6027031100000000 0.7242712000000000 0.0685923000000000 0.3972968900000000 0.2242712000000000 0.4314077000000000 0.8972968900000000 0.2757288000000000 0.5685922999999999 0.5849608700000000 0.3915867600000000 0.7965558200000000 0.0849608700000000 0.1084132400000000 0.2034441800000000 0.9150391300000000 0.6084132400000000 0.2965558200000000 0.4150391300000000 0.8915867600000000 0.7034441800000000 0.4150391300000000 0.6084132400000000 0.2034441800000000 0.9150391300000000 0.8915867600000000 0.7965558200000000 0.0849608700000000 0.3915867600000000 0.7034441800000000 0.5482757800000000 0.7863874100000000 0.8050136500000000 0.7512349100000000 0.1726238100000000 0.6632469599999999 0.7321596800000000 0.5029353400000001 0.1761544600000000 0.2321596800000000 0.9970646600000000 0.8238455400000000 0.7678403200000000 0.4970646600000000 0.6761544600000000 0.2678403200000000 0.0029353400000000 0.3238455400000000 0.2678403200000000 0.4970646600000000 0.8238455400000000 0.7678403200000000 0.0029353400000000 0.1761544600000000 0.2321596800000000 0.5029353400000001 0.3238455400000000 0.2512349100000000 0.3273761900000000 0.3367530400000000 0.7487650900000000 0.8273761900000001 0.1632469600000000 0.2487650900000000 0.6726238099999999 0.8367530400000001 0.7321596800000000 0.9970646600000000 0.6761544600000000 0.7487650900000000 0.6726238099999999 0.6632469599999999 0.2512349100000000 0.1726238100000000 0.8367530400000001 0.7512349100000000 0.3273761900000000 0.1632469600000000 0.2487650900000000 0.8273761900000001 0.3367530400000000 0.7769994400000000 0.0883539800000000 0.9287843900000000 0.2769994400000000 0.4116460200000000 0.0712156100000000 0.7230005600000000 0.9116460200000001 0.4287843900000000 0.2230005600000000 0.5883539799999999 0.5712156100000000 0.2230005600000000 0.9116460200000001 0.0712156100000000 0.7230005600000000 0.5883539799999999 0.9287843900000000 0.2769994400000000 0.0883539800000000 0.5712156100000000 0.7769994400000000 0.4116460200000000 0.4287843900000000 0.7864570600000000 0.1644772100000000 0.1843378200000000 0.2864570600000000 0.3355227900000000 0.8156621800000000 0.7135429400000000 0.8355227900000000 0.6843378200000000 0.2135429400000000 0.6644772100000000 0.3156621800000000 0.2135429400000000 0.8355227900000000 0.8156621800000000 0.7135429400000000 0.6644772100000000 0.1843378200000000 0.2864570600000000 0.1644772100000000 0.3156621800000000 0.7864570600000000 0.3355227900000000 0.6843378200000000 0.7541619900000001 0.7398735900000000 0.9193941900000000 0.7541619900000001 0.7601264100000000 0.4193941900000000 0.2541619900000000 0.7398735900000000 0.5806058100000000 0.2541619900000000 0.7601264100000000 0.0806058100000000 0.2458380100000000 0.2601264100000000 0.0806058100000000 0.2458380100000000 0.2398735900000000 0.5806058100000000 0.7458380099999999 0.2601264100000000 0.4193941900000000 0.7851800200000000 0.4298438700000000 0.9232800500000000 0.2851800200000000 0.0701561300000000 0.0767199500000000 0.7148199800000000 0.5701561300000000 0.4232800500000000 0.2148199800000000 0.9298438700000000 0.5767199500000000 0.2148199800000000 0.5701561300000000 0.0767199500000000 0.7148199800000000 0.9298438700000000 0.9232800500000000 0.2851800200000000 0.4298438700000000 0.5767199500000000 0.7851800200000000 0.0701561300000000 0.4232800500000000 0.7458380099999999 0.2398735900000000 0.9193941900000000vasp-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 2 0.000 0.000 0.000