# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/b185811e-76da-4956-920d-fc69ed8523e9/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 NaNb4Tl3P2O17 / Ama2 (40) / materials id 556062](https://mdr.nims.go.jp/datasets/cc63faf8-9ee7-40b8-8dfd-c5dbb6211adb)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 1 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 4Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 16Nb 92.00000000 11.00000000 PAW_PBE Nb_pv 08Apr2002 12Tl 204.38000000 13.00000000 PAW_PBE Tl_d 06Sep2000 8P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 68O 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 Nb Tl P O 1.0 7.4136137399999997 0.0000000000000000 0.0000000000000000 0.0000000000000000 21.4555768700000016 0.0000000000000000 0.0000000000000000 0.0000000000000000 9.9121658099999994 Na Nb Tl P O 4 16 12 8 68Direct 0.0000000000000000 0.5000000000000000 0.1290755700000000 0.5000000000000000 0.5000000000000000 0.1290755700000000 0.0000000000000000 0.0000000000000000 0.6290755699999999 0.5000000000000000 0.0000000000000000 0.6290755699999999 0.5002079100000000 0.6530024000000000 0.6943687599999999 0.7500000000000000 0.7634478500000000 0.9130004200000000 0.9997920900000000 0.6530024000000000 0.6943687599999999 0.5000000000000000 0.0000000000000000 0.9989767400000000 0.0002079100000000 0.8469976000000000 0.1943687600000000 0.0000000000000000 0.0000000000000000 0.9989767400000000 0.4997920900000000 0.8469976000000000 0.1943687600000000 0.2500000000000000 0.7365521500000001 0.4130004200000000 0.5002079100000000 0.1530024000000000 0.1943687600000000 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0.0438958400000000 0.5644227300000000 0.6262956900000001 0.2500000000000000 0.9306923900000000 0.5881665899999999 0.4212834000000000 0.8945965600000000 0.3802653300000000 0.5677477500000000 0.8026180300000000 0.0375683100000000 0.4322522500000000 0.6973819700000000 0.5375683099999999 0.5610897600000000 0.7267994799999999 0.8030316500000000 0.7500000000000000 0.8397933900000000 0.7954318700000000 0.9212834000000000 0.6054034400000000 0.8802653300000000 0.2500000000000000 0.8165556700000001 0.5228610100000000 0.7500000000000000 0.3512144000000000 0.7691517500000000 0.7500000000000000 0.0693076100000000 0.5881665899999999 0.4244740500000000 0.0617762400000000 0.8364676900000000 0.9561041600000000 0.4355772700000000 0.6262956900000001 0.0610897600000000 0.2732005200000000 0.8030316500000000 0.5438958400000000 0.4355772700000000 0.6262956900000001 0.7500000000000000 0.0290482900000000 0.9691026300000000 0.0787166000000000 0.3945965600000000 0.8802653300000000 0.4389102400000000 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0.1262956900000000 0.2500000000000000 0.4306923900000000 0.0881665900000000 0.4212834000000000 0.3945965600000000 0.8802653300000000 0.5677477500000000 0.3026180300000000 0.5375683099999999 0.4322522500000000 0.1973819700000000 0.0375683100000000 0.5610897600000000 0.2267994800000000 0.3030316500000000 0.7500000000000000 0.3397933900000000 0.2954318700000000 0.9212834000000000 0.1054034400000000 0.3802653300000000 0.2500000000000000 0.3165556700000000 0.0228610100000000vasp-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 3 1 2 0.000 0.000 0.000