# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/8b5620f4-4b69-40d6-8339-6c0089041358/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 Rb2In2Sb3 / P2_1/c (14) / materials id 21760](https://mdr.nims.go.jp/datasets/d0bfb5a7-0658-44d5-8d28-13b950b5b6ff)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     1     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  32</c><c>Rb</c><c>     85.46800000</c><c>      7.00000000</c><c>  PAW_PBE Rb_pv 06Sep2000               </c></rc>    <rc><c>  32</c><c>In</c><c>    114.82000000</c><c>     13.00000000</c><c>  PAW_PBE In_d 06Sep2000                </c></rc>    <rc><c>  48</c><c>Sb</c><c>    121.75000000</c><c>      5.00000000</c><c>  PAW_PBE Sb 06Sep2000                  </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 310.974300     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 Rb In Sb   1.0    15.5750525199999998    0.0000000000000000   -0.0021882400000000     0.0000000000000000    7.5504608299999996    0.0000000000000000    -0.1486854400000000    0.0000000000000000   17.3260154600000007 Rb In Sb  16  16  24Direct   0.6426418400000000  0.0278745000000000  0.4921827000000000   0.3573581600000000  0.5278745000000000  0.0078173000000000   0.3573581600000000  0.9721255000000000  0.5078173000000000   0.6426418400000000  0.4721255000000000  0.9921827000000000   0.1541582100000000  0.4544002800000000  0.5224362800000000   0.8458417900000000  0.9544002800000000  0.9775637200000000   0.8458417900000000  0.5455997200000000  0.4775637200000000   0.1541582100000000  0.0455997200000000  0.0224362800000000   0.4236487400000000  0.4677709900000000  0.6114608300000000   0.5763512600000000  0.9677709900000000  0.8885391700000000   0.5763512600000000  0.5322290100000000  0.3885391700000000   0.4236487400000000  0.0322290100000000  0.1114608300000000   0.9426411500000000  0.0502483000000000  0.3986927600000000   0.0573588500000000  0.5502483000000000  0.1013072400000000   0.0573588500000000  0.9497517000000000  0.6013072400000000   0.9426411500000000  0.4497517000000000  0.8986927600000000   0.1835489100000000  0.7199318500000000  0.3331654100000000   0.8164510899999999  0.2199318500000000  0.1668345900000000   0.8164510899999999  0.2800681500000000  0.6668345900000000   0.1835489100000000  0.7800681500000000  0.8331654100000000   0.5931120300000000  0.2133105900000000  0.2293719900000000   0.4068879700000000  0.7133105900000001  0.2706280100000000   0.4068879700000000  0.7866894100000000  0.7706280100000000   0.5931120300000000  0.2866894100000000  0.7293719900000000   0.3194076100000000  0.2363402800000000  0.3238559100000000   0.6805923899999999  0.7363402800000001  0.1761440900000000   0.6805923899999999  0.7636597199999999  0.6761440900000000   0.3194076100000000  0.2636597200000000  0.8238559100000000   0.0932128800000000  0.2369958400000000  0.2584897500000000   0.9067871199999999  0.7369958400000001  0.2415102500000000   0.9067871199999999  0.7630041599999999  0.7415102499999999   0.0932128800000000  0.2630041600000000  0.7584897500000000   0.5239756099999999  0.5370101900000002  0.1704670300000000   0.4760243900000000  0.0370101900000000  0.3295329700000000   0.4760243900000000  0.4629898100000000  0.8295329700000000   0.5239756099999999  0.9629898099999999  0.6704670300000000   0.3364568300000000  0.5569689300000000  0.4064951600000000   0.6635431700000001  0.0569689300000000  0.0935048400000000   0.6635431700000001  0.4430310700000000  0.5935048400000000   0.3364568300000000  0.9430310700000000  0.9064951600000000   0.1702371700000000  0.0681658700000000  0.3907993400000000   0.8297628300000000  0.5681658700000001  0.1092006600000000   0.8297628300000000  0.9318341300000000  0.6092006599999999   0.1702371700000000  0.4318341300000000  0.8907993400000001   0.2494104200000000  0.1638998000000000  0.6757007600000000   0.7505895800000000  0.6638998000000000  0.8242992400000000   0.7505895800000000  0.8361002000000000  0.3242992400000000   0.2494104200000000  0.3361002000000000  0.1757007600000000   0.0224544600000000  0.5348624300000000  0.3390475600000000   0.9775455400000000  0.0348624300000000  0.1609524400000000   0.9775455400000000  0.4651375700000000  0.6609524400000000   0.0224544600000000  0.9651375700000000  0.8390475600000000   0.2509707400000000  0.7845166600000000  0.6808866200000000   0.7490292599999999  0.2845166600000000  0.8191133800000000   0.7490292599999999  0.2154833400000000  0.3191133800000000   0.2509707400000000  0.7154833400000000  0.1808866200000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 310.974300     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     1     3     1 0.000 0.000 0.000