# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/c91c47ec-c3ab-4987-9a0f-05b577c06b43/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 Rb6Si10O23 / Amm2 (38) / materials id 27376](https://mdr.nims.go.jp/datasets/e11db7ca-9010-47aa-a2f4-113a99f0cead)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     1     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  46</c><c>O </c><c>     16.00000000</c><c>      6.00000000</c><c>  PAW_PBE O 08Apr2002                   </c></rc>    <rc><c>  20</c><c>Si</c><c>     28.08500000</c><c>      4.00000000</c><c>  PAW_PBE Si 05Jan2001                  </c></rc>    <rc><c>  12</c><c>Rb</c><c>     85.46800000</c><c>      7.00000000</c><c>  PAW_PBE Rb_pv 06Sep2000               </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 O Si Rb   1.0     8.0864735000000003    0.0000000000000000    0.0000000000000000     0.0000000000000000   16.3761552899999998    0.0000000000000000     0.0000000000000000    0.0000000000000000    9.3701049500000000 O Si Rb  46  20  12Direct   0.8104582900000000  0.2850602000000000  0.8664346900000000   0.1895417100000000  0.2149398000000000  0.3664346900000000   0.1895417100000000  0.2850602000000000  0.8664346900000000   0.8104582900000000  0.2149398000000000  0.3664346900000000   0.6992456499999999  0.2156482600000000  0.6386668400000000   0.3007543500000000  0.2843517400000000  0.1386668400000000   0.3007543500000000  0.2156482600000000  0.6386668400000000   0.6992456499999999  0.2843517400000000  0.1386668400000000   0.7506562800000001  0.1199096800000000  0.8774506000000000   0.2493437200000000  0.3800903200000000  0.3774506000000000   0.2493437200000000  0.1199096800000000  0.8774506000000000   0.7506562800000001  0.3800903200000000  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0.0000000000000000  0.2364132100000000   0.2465752200000000  0.0000000000000000  0.2364132100000000   0.6881221800000000  0.1732065600000000  0.4823783100000000   0.3118778200000000  0.3267934400000000  0.9823783100000000   0.3118778200000000  0.1732065600000000  0.4823783100000000   0.6881221800000000  0.3267934400000000  0.9823783100000000   0.8094218000000000  0.1948853200000000  0.7843284900000000   0.1905782000000000  0.3051146800000000  0.2843284900000000   0.1905782000000000  0.1948853200000000  0.7843284900000000   0.8094218000000000  0.3051146800000000  0.2843284900000000   0.1995907500000000  0.5000000000000000  0.9000452900000000   0.8004092500000000  0.5000000000000000  0.9000452900000000   0.6881221800000000  0.6732065600000000  0.9823783100000000   0.3118778200000000  0.8267934400000000  0.4823783100000000   0.3118778200000000  0.6732065600000000  0.9823783100000000   0.6881221800000000  0.8267934400000000  0.4823783100000000   0.8094218000000000  0.6948853200000000  0.2843284900000000   0.1905782000000000  0.8051146800000000  0.7843284900000000   0.1905782000000000  0.6948853200000000  0.2843284900000000   0.8094218000000000  0.8051146800000000  0.7843284900000000   0.1995907500000000  0.0000000000000000  0.4000452900000000   0.8004092500000000  0.0000000000000000  0.4000452900000000   0.5000000000000000  0.3805840000000000  0.6082506000000000   0.5000000000000000  0.1194160000000000  0.1082506000000000   0.0000000000000000  0.3785156100000000  0.6220058700000000   0.0000000000000000  0.1214843900000000  0.1220058700000000   0.5000000000000000  0.5000000000000000  0.2488719200000000   0.0000000000000000  0.5000000000000000  0.2577483600000000   0.5000000000000000  0.8805840000000000  0.1082506000000000   0.5000000000000000  0.6194160000000000  0.6082506000000000   0.0000000000000000  0.8785156100000000  0.1220058700000000   0.0000000000000000  0.6214843900000000  0.6220058700000000   0.5000000000000000  0.0000000000000000  0.7488719200000000   0.0000000000000000  0.0000000000000000  0.7577483600000000vasp-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     1     2 0.000 0.000 0.000