# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/e9817bdd-3ec0-40d1-b689-0beb93bf430a/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 Na7SbO6 / R3 (146) / materials id 760311](https://mdr.nims.go.jp/datasets/f9702535-1a7a-4fec-b289-c31b96026de9)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     4     4     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  21</c><c>Na</c><c>     22.99000000</c><c>      7.00000000</c><c>  PAW_PBE Na_pv 19Sep2006               </c></rc>    <rc><c>   3</c><c>Sb</c><c>    121.75000000</c><c>      5.00000000</c><c>  PAW_PBE Sb 06Sep2000                  </c></rc>    <rc><c>  18</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     6.4488915999999996    0.0000000400000000    0.0000000000000000    -3.2244458300000001    5.5849039400000002    0.0000000000000000     0.0000000000000000    0.0000000000000000   15.2993414199999993 Na Sb O  21   3  18Direct   0.9334522900000000  0.6601921200000000  0.7724275400000000   0.0624461200000000  0.4158219500000000  0.8967742200000000   0.5841780500000000  0.6466241699999999  0.8967742200000000   0.6666666700000000  0.3333333300000000  0.9870999900000000   0.3398078800000000  0.2732601700000000  0.7724275400000000   0.7267398300000000  0.0665477100000000  0.7724275400000000   0.3533758300000000  0.9375538800000000  0.8967742200000000   0.6001189600000000  0.9935254600000000  0.1057608700000000   0.7291127900000001  0.7491552800000000  0.2301075500000000   0.2508447200000000  0.9799575100000000  0.2301075500000000   0.3333333300000000  0.6666666700000000  0.3204333300000000   0.0064745400000000  0.6065935000000000  0.1057608700000000   0.3934065000000000  0.3998810400000000  0.1057608700000000   0.0200424900000000  0.2708872100000000  0.2301075500000000   0.2667856200000000  0.3268587900000000  0.4390942100000000   0.3957794500000000  0.0824886100000000  0.5634408900000001   0.9175113900000000  0.3132908400000000  0.5634408900000001   0.0000000000000000  0.0000000000000000  0.6537666600000001   0.6731412100000000  0.9399268300000000  0.4390942100000000   0.0600731700000000  0.7332143799999999  0.4390942100000000   0.6867091599999999  0.6042205500000000  0.5634408900000001   0.6666666700000000  0.3333333300000000  0.3345453600000000   0.3333333300000000  0.6666666700000000  0.6678786900000000   0.0000000000000000  0.0000000000000000  0.0012120200000000   0.9619527400000000  0.7136230600000000  0.9267678900000000   0.0704635800000000  0.4053790300000000  0.7423512600000000   0.5946209700000000  0.6650845400000001  0.7423512600000000   0.7516703100000000  0.0380472600000000  0.9267678900000000   0.2863769400000000  0.2483296900000000  0.9267678900000000   0.3349154600000000  0.9295364200000000  0.7423512600000000   0.6286194100000000  0.0469563900000000  0.2601012200000000   0.7371302399999999  0.7387123700000000  0.0756846000000000   0.2612876300000000  0.9984178800000000  0.0756846000000000   0.4183369800000000  0.3713805900000000  0.2601012200000000   0.9530436100000000  0.5816630199999999  0.2601012200000000   0.0015821200000000  0.2628697600000000  0.0756846000000000   0.2952860800000000  0.3802897300000000  0.5934345500000000   0.4037969100000000  0.0720457000000000  0.4090179300000000   0.9279543000000000  0.3317512100000000  0.4090179300000000   0.0850036500000000  0.7047139200000000  0.5934345500000000   0.6197102700000000  0.9149963500000000  0.5934345500000000   0.6682487900000000  0.5962030899999999  0.4090179300000000vasp-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     4     1 0.000 0.000 0.000