# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/cbdd1cc6-1191-4487-984c-fb420ef4bcfa/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 Yb11InSb9 / Iba2 (45) / materials id 570504](https://mdr.nims.go.jp/datasets/1f104857-1e0d-41c6-bbaa-39ba64a47891)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  44</c><c>Yb</c><c>    173.04000000</c><c>      8.00000000</c><c>  PAW_PBE Yb_2 06Sep2000                </c></rc>    <rc><c>   4</c><c>In</c><c>    114.82000000</c><c>     13.00000000</c><c>  PAW_PBE In_d 06Sep2000                </c></rc>    <rc><c>  36</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 Yb In Sb   1.0    11.6054947399999993    0.0000000000000000    0.0000000000000000     0.0000000000000000   12.1653388000000007    0.0000000000000000     0.0000000000000000    0.0000000000000000   16.5311802199999995 Yb In Sb  44   4  36Direct   0.0682120000000000  0.7213540500000000  0.8406708000000001   0.6645354800000001  0.3259332300000000  0.0012492100000000   0.9317880000000001  0.2786459500000000  0.8406708000000001   0.5000000000000000  0.5000000000000000  0.8249487900000000   0.1826685200000000  0.4467459800000000  0.8706959000000000   0.8144462600000000  0.4405003700000000  0.6278955900000001   0.5840921000000000  0.7702410800000000  0.1593867000000000   0.4317880000000000  0.2213540500000000  0.8406708000000001   0.4159079000000000  0.2297589200000000  0.1593867000000000   0.1855537400000000  0.4405003700000000  0.1278955900000000   0.5682119999999999  0.7786459500000000  0.8406708000000001   0.8144462600000000  0.5594996300000000  0.1278955900000000   0.1645354800000000  0.1740667700000000  0.0012492100000000   0.8173314800000000  0.5532540200000000  0.8706959000000000   0.1826685200000000  0.5532540200000000  0.3706959000000000   0.3354645200000000  0.6740667700000000  0.0012492100000000   0.5000000000000000  0.5000000000000000  0.3249487900000000   0.9159079000000000  0.2702410800000000  0.1593867000000000   0.8354645199999999  0.8259332300000000  0.0012492100000000   0.8173314800000000  0.4467459800000000  0.3706959000000000   0.0840921000000000  0.7297589200000000  0.1593867000000000   0.1855537400000000  0.5594996300000000  0.6278955900000001   0.5682119999999999  0.2213540500000000  0.3406708000000000   0.1645354800000000  0.8259332300000000  0.5012492100000000   0.4317880000000000  0.7786459500000000  0.3406708000000000   0.0000000000000000  0.0000000000000000  0.3249487900000000   0.6826685200000000  0.9467459800000000  0.3706959000000000   0.3144462600000000  0.9405003700000000  0.1278955900000000   0.0840921000000000  0.2702410800000000  0.6593867000000000   0.9317880000000001  0.7213540500000000  0.3406708000000000   0.9159079000000000  0.7297589200000000  0.6593867000000000   0.6855537400000000  0.9405003700000000  0.6278955900000001   0.0682120000000000  0.2786459500000000  0.3406708000000000   0.3144462600000000  0.0594996300000000  0.6278955900000001   0.6645354800000001  0.6740667700000000  0.5012492100000000   0.3173314800000000  0.0532540200000000  0.3706959000000000   0.6826685200000000  0.0532540200000000  0.8706959000000000   0.8354645199999999  0.1740667700000000  0.5012492100000000   0.0000000000000000  0.0000000000000000  0.8249487900000000   0.4159079000000000  0.7702410800000000  0.6593867000000000   0.3354645200000000  0.3259332300000000  0.5012492100000000   0.3173314800000000  0.9467459800000000  0.8706959000000000   0.5840921000000000  0.2297589200000000  0.6593867000000000   0.6855537400000000  0.0594996300000000  0.1278955900000000   0.5000000000000000  0.5000000000000000  0.1116848700000000   0.5000000000000000  0.5000000000000000  0.6116848699999999   0.0000000000000000  0.0000000000000000  0.6116848699999999   0.0000000000000000  0.0000000000000000  0.1116848700000000   0.6791021300000000  0.6766992000000001  0.3170908300000000   0.5365387900000000  0.8885501200000000  0.0027962300000000   0.4634612100000000  0.1114498800000000  0.0027962300000000   0.3676838600000000  0.3815040700000000  0.9927999000000000   0.1323161400000000  0.8815040700000000  0.9927999000000000   0.6323161400000000  0.6184959300000000  0.9927999000000000   0.0000000000000000  0.5000000000000000  0.2471622300000000   0.3208978700000000  0.3233008000000000  0.3170908300000000   0.3421135800000000  0.6463810000000000  0.1935419000000000   0.8676838600000000  0.1184959300000000  0.9927999000000000   0.3208978700000000  0.6766992000000001  0.8170908299999999   0.0365387900000000  0.6114498800000000  0.0027962300000000   0.6791021300000000  0.3233008000000000  0.8170908299999999   0.0000000000000000  0.5000000000000000  0.7471622300000000   0.9634612100000000  0.3885501200000000  0.0027962300000000   0.6578864200000001  0.6463810000000000  0.6935419000000000   0.6578864200000001  0.3536190000000000  0.1935419000000000   0.3421135800000000  0.3536190000000000  0.6935419000000000   0.1791021300000000  0.1766992000000000  0.8170908299999999   0.0365387900000000  0.3885501200000000  0.5027962300000000   0.9634612100000000  0.6114498800000000  0.5027962300000000   0.8676838600000000  0.8815040700000000  0.4927999000000000   0.6323161400000000  0.3815040700000000  0.4927999000000000   0.1323161400000000  0.1184959300000000  0.4927999000000000   0.5000000000000000  0.0000000000000000  0.7471622300000000   0.8208978700000000  0.8233007999999999  0.8170908299999999   0.8421135800000000  0.1463810000000000  0.6935419000000000   0.3676838600000000  0.6184959300000000  0.4927999000000000   0.8208978700000000  0.1766992000000000  0.3170908300000000   0.5365387900000000  0.1114498800000000  0.5027962300000000   0.1791021300000000  0.8233007999999999  0.3170908300000000   0.5000000000000000  0.0000000000000000  0.2471622300000000   0.4634612100000000  0.8885501200000000  0.5027962300000000   0.1578864200000000  0.1463810000000000  0.1935419000000000   0.1578864200000000  0.8536190000000000  0.6935419000000000   0.8421135800000000  0.8536190000000000  0.1935419000000000vasp-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     2     2     1 0.000 0.000 0.000