# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/43536e2e-37dc-4f2a-a528-694d0f163225/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 Na2SnO3 / C2/c (15) / materials id 761184](https://mdr.nims.go.jp/datasets/5aa42d96-241f-43ae-9f68-3a636b0dc85e)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  32</c><c>Na</c><c>     22.99000000</c><c>      7.00000000</c><c>  PAW_PBE Na_pv 19Sep2006               </c></rc>    <rc><c>  16</c><c>Sn</c><c>    118.71000000</c><c>     14.00000000</c><c>  PAW_PBE Sn_d 06Sep2000                </c></rc>    <rc><c>  48</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 Sn O   1.0     5.5518048899999997    0.0000000000000000   -0.0129857400000000     0.0000000000000000    9.6249308399999993    0.0000000000000000    -1.8619346100000000    0.0000000000000000   10.9356074599999999 Na Sn O  16   8  24Direct   0.2376275400000000  0.0790472600000000  0.4998608900000000   0.2500000000000000  0.2500000000000000  0.0000000000000000   0.5000000000000000  0.4146108800000000  0.2500000000000000   0.7500000000000000  0.2500000000000000  0.5000000000000000   0.7376275400000001  0.4209527400000000  0.9998608900000000   0.7623724600000000  0.0790472600000000  0.0001391100000000   0.0000000000000000  0.0853891200000000  0.7500000000000000   0.2623724600000000  0.4209527400000000  0.5001391100000000   0.7376275400000001  0.5790472600000001  0.4998608900000000   0.7500000000000000  0.7500000000000000  0.0000000000000000   0.0000000000000000  0.9146108800000000  0.2500000000000000   0.2500000000000000  0.7500000000000000  0.5000000000000000   0.2376275400000000  0.9209527400000000  0.9998608900000000   0.2623724600000000  0.5790472600000001  0.0001391100000000   0.5000000000000000  0.5853891200000000  0.7500000000000000   0.7623724600000000  0.9209527400000000  0.5001391100000000   0.5000000000000000  0.0813837100000000  0.2500000000000000   0.5000000000000000  0.2512413400000000  0.7500000000000000   0.0000000000000000  0.2487586600000000  0.2500000000000000   0.0000000000000000  0.4186162900000000  0.7500000000000000   0.0000000000000000  0.5813837100000000  0.2500000000000000   0.0000000000000000  0.7512413400000000  0.7500000000000000   0.5000000000000000  0.7487586600000000  0.2500000000000000   0.5000000000000000  0.9186162900000000  0.7500000000000000   0.1471270300000000  0.0990740300000000  0.1426721000000000   0.3512137200000000  0.2300836200000000  0.3558519200000000   0.6487862799999999  0.2300836200000000  0.1441480800000000   0.4049206700000000  0.0848514400000000  0.8563924400000000   0.6471270300000000  0.4009259700000000  0.6426721000000000   0.5950793300000000  0.0848514400000000  0.6436075600000000   0.9049206700000000  0.4151485600000000  0.3563924400000000   0.8528729700000000  0.0990740300000000  0.3573279000000000   0.0950793300000000  0.4151485600000000  0.1436075600000000   0.8512137200000001  0.2699163800000000  0.8558519200000000   0.1487862800000000  0.2699163800000000  0.6441480800000000   0.3528729700000000  0.4009259700000000  0.8573279000000000   0.6471270300000000  0.5990740299999999  0.1426721000000000   0.8512137200000001  0.7300836200000000  0.3558519200000000   0.1487862800000000  0.7300836200000000  0.1441480800000000   0.9049206700000000  0.5848514400000000  0.8563924400000000   0.1471270300000000  0.9009259700000000  0.6426721000000000   0.0950793300000000  0.5848514400000000  0.6436075600000000   0.4049206700000000  0.9151485600000000  0.3563924400000000   0.3528729700000000  0.5990740299999999  0.3573279000000000   0.5950793300000000  0.9151485600000000  0.1436075600000000   0.3512137200000000  0.7699163800000000  0.8558519200000000   0.6487862799999999  0.7699163800000000  0.6441480800000000   0.8528729700000000  0.9009259700000000  0.8573279000000000vasp-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     2     2 0.000 0.000 0.000