# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/7703d46a-380d-4d34-98e8-da4970ebf8bc/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 Na5P3O10 / C2/c (15) / materials id 557529](https://mdr.nims.go.jp/datasets/009832dc-75b4-4072-a5fb-2145ddf10905)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 40Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 24P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 80O 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 P O 1.0 9.7016212599999996 0.0000000000000000 -0.0201935700000000 0.0000000000000000 5.3547206500000000 0.0000000000000000 -2.2436988400000000 0.0000000000000000 18.4086335800000001 Na P O 20 12 40Direct 0.5764539500000000 0.7309676800000000 0.0661229100000000 0.7140396200000000 0.3231587500000000 0.8244006800000000 0.2859603800000000 0.3231587500000000 0.6755993200000000 0.4235460500000000 0.7309676800000000 0.4338770900000000 0.4235460500000000 0.2690323200000000 0.9338770900000000 0.7140396200000000 0.6768412500000001 0.3244006800000000 0.2500000000000000 0.7500000000000000 0.0000000000000000 0.2859603800000000 0.6768412500000001 0.1755993200000000 0.5764539500000000 0.2690323200000000 0.5661229100000000 0.2500000000000000 0.2500000000000000 0.5000000000000000 0.0764539500000000 0.2309676800000000 0.0661229100000000 0.2140396200000000 0.8231587499999999 0.8244006800000000 0.7859603800000000 0.8231587499999999 0.6755993200000000 0.9235460500000000 0.2309676800000000 0.4338770900000000 0.9235460500000000 0.7690323200000000 0.9338770900000000 0.2140396200000000 0.1768412500000000 0.3244006800000000 0.7500000000000000 0.2500000000000000 0.0000000000000000 0.7859603800000000 0.1768412500000000 0.1755993200000000 0.0764539500000000 0.7690323200000000 0.5661229100000000 0.7500000000000000 0.7500000000000000 0.5000000000000000 0.5813003600000000 0.2270367800000000 0.4007374100000000 0.5813003600000000 0.7729632200000001 0.9007374100000000 0.5000000000000000 0.1009759700000000 0.2500000000000000 0.5000000000000000 0.8990240300000000 0.7500000000000000 0.4186996400000000 0.2270367800000000 0.0992625900000000 0.4186996400000000 0.7729632200000001 0.5992625899999999 0.0813003600000000 0.7270367799999999 0.4007374100000000 0.0813003600000000 0.2729632200000000 0.9007374100000000 0.0000000000000000 0.6009759700000000 0.2500000000000000 0.0000000000000000 0.3990240300000000 0.7500000000000000 0.9186996400000000 0.7270367799999999 0.0992625900000000 0.9186996400000000 0.2729632200000000 0.5992625899999999 0.3845247900000000 0.0507618400000000 0.5971650200000000 0.4582083500000000 0.6963562400000001 0.6864171000000000 0.6257279499999999 0.9572208800000001 0.2334941500000000 0.4524755800000000 0.7086513600000000 0.9367650199999999 0.2957889100000000 0.6024126900000000 0.5756983700000000 0.6257279499999999 0.0427791200000000 0.7334941500000001 0.7042110900000000 0.3975873100000000 0.4243016300000000 0.2957889100000000 0.3975873100000000 0.0756983700000000 0.6154752100000001 0.0507618400000000 0.9028349800000000 0.7042110900000000 0.6024126900000000 0.9243016300000000 0.5475244200000000 0.7086513600000000 0.5632349800000001 0.6154752100000001 0.9492381599999999 0.4028349800000000 0.3845247900000000 0.9492381599999999 0.0971650200000000 0.3742720500000000 0.9572208800000001 0.2665058500000000 0.4524755800000000 0.2913486400000000 0.4367650200000000 0.5475244200000000 0.2913486400000000 0.0632349800000000 0.5417916500000000 0.3036437600000000 0.3135829000000000 0.3742720500000000 0.0427791200000000 0.7665058499999999 0.4582083500000000 0.3036437600000000 0.1864171000000000 0.5417916500000000 0.6963562400000001 0.8135829000000000 0.8845247899999999 0.5507618400000001 0.5971650200000000 0.9582083500000000 0.1963562400000000 0.6864171000000000 0.1257279500000000 0.4572208800000000 0.2334941500000000 0.9524755800000000 0.2086513600000000 0.9367650199999999 0.7957889100000000 0.1024126900000000 0.5756983700000000 0.1257279500000000 0.5427791199999998 0.7334941500000001 0.2042110900000000 0.8975873100000000 0.4243016300000000 0.7957889100000000 0.8975873100000000 0.0756983700000000 0.1154752100000000 0.5507618400000001 0.9028349800000000 0.2042110900000000 0.1024126900000000 0.9243016300000000 0.0475244200000000 0.2086513600000000 0.5632349800000001 0.1154752100000000 0.4492381600000000 0.4028349800000000 0.8845247899999999 0.4492381600000000 0.0971650200000000 0.8742720500000000 0.4572208800000000 0.2665058500000000 0.9524755800000000 0.7913486400000000 0.4367650200000000 0.0475244200000000 0.7913486400000000 0.0632349800000000 0.0417916500000000 0.8036437600000000 0.3135829000000000 0.8742720500000000 0.5427791199999998 0.7665058499999999 0.9582083500000000 0.8036437600000000 0.1864171000000000 0.0417916500000000 0.1963562400000000 0.8135829000000000vasp-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 4 1 0.000 0.000 0.000