# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/2499cbca-efea-4750-9d46-492c3d2d622e/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 NaSb3O8 / P2_1/c (14) / materials id 773599](https://mdr.nims.go.jp/datasets/1bce89c1-66ae-444c-bbb8-3f8b27e7f5fd)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     3     2     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>   8</c><c>Na</c><c>     22.99000000</c><c>      7.00000000</c><c>  PAW_PBE Na_pv 19Sep2006               </c></rc>    <rc><c>  24</c><c>Sb</c><c>    121.75000000</c><c>      5.00000000</c><c>  PAW_PBE Sb 06Sep2000                  </c></rc>    <rc><c>  64</c><c>O </c><c>     16.00000000</c><c>      6.00000000</c><c>  PAW_PBE O 08Apr2002                   </c></rc>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 Sb O   1.0     7.4973563900000002    0.0000000000000000   -0.0540848400000000     0.0000000000000000    5.2040195300000001    0.0000000000000000    -4.6214627200000002    0.0000000000000000   14.6757115000000002 Na Sb O   4  12  32Direct   0.7180094200000000  0.2299553000000000  0.0745869300000000   0.2819905800000000  0.7299553000000000  0.4254130700000000   0.7180094200000000  0.2700447000000000  0.5745869299999999   0.2819905800000000  0.7700447000000000  0.9254130700000001   0.9759212400000000  0.7240755000000000  0.1657669100000000   0.2317984800000000  0.2249508800000000  0.0839846500000000   0.4838648500000000  0.7231454500000001  0.1621347200000000   0.0240787600000000  0.2240755000000000  0.3342330900000000   0.5161351500000000  0.2231454500000000  0.3378652800000000   0.7682015200000000  0.7249508800000000  0.4160153500000000   0.2317984800000000  0.2750491200000000  0.5839846500000000   0.4838648500000000  0.7768545500000000  0.6621347200000001   0.9759212400000000  0.7759245000000000  0.6657669100000000   0.5161351500000000  0.2768545500000000  0.8378652799999999   0.7682015200000000  0.7750491200000000  0.9160153500000000   0.0240787600000000  0.2759245000000000  0.8342330900000000   0.8771524100000000  0.8904562800000000  0.0418982700000000   0.0188418800000000  0.4076214400000000  0.1002733100000000   0.3488946900000000  0.5323260200000000  0.0521718700000000   0.4672850900000000  0.0360463400000000  0.0907641500000000   0.7221160400000000  0.5924879800000000  0.1560038900000000   0.9104584600000000  0.0501365500000000  0.2162421500000000   0.2223425300000000  0.8950912000000000  0.1610110300000000   0.0895415400000000  0.5501365499999999  0.2837578500000000   0.4079575500000000  0.3925823500000000  0.2159827100000000   0.2778839600000000  0.0924879800000000  0.3439961100000000   0.5920424500000000  0.8925823500000000  0.2840172900000000   0.7776574700000000  0.3950912000000000  0.3389889700000000   0.9811581200000000  0.9076214400000000  0.3997266900000000   0.1228475900000000  0.3904562800000000  0.4581017300000000   0.5327149099999999  0.5360463400000000  0.4092358500000000   0.3488946900000000  0.9676739800000000  0.5521718700000000   0.6511053099999999  0.0323260200000000  0.4478281300000000   0.4672850900000000  0.4639536600000000  0.5907641500000000   0.8771524100000000  0.6095437200000000  0.5418982700000000   0.0188418800000000  0.0923785600000000  0.6002733099999999   0.2223425300000000  0.6049088000000000  0.6610110300000001   0.4079575500000000  0.1074176500000000  0.7159827100000000   0.7221160400000000  0.9075120200000000  0.6560038900000000   0.5920424500000000  0.6074176499999999  0.7840172900000000   0.9104584600000000  0.4498634500000000  0.7162421500000000   0.7776574700000000  0.1049088000000000  0.8389889699999999   0.0895415400000000  0.9498634500000001  0.7837578500000000   0.2778839600000000  0.4075120200000000  0.8439961100000000   0.5327149099999999  0.9639536600000000  0.9092358500000000   0.6511053099999999  0.4676739800000000  0.9478281300000000   0.9811581200000000  0.5923785600000000  0.8997266900000001   0.1228475900000000  0.1095437200000000  0.9581017300000000vasp-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     4     1 0.000 0.000 0.000