# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/0dd76c84-7445-4deb-90de-36e6932bafc4/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 B6H10N / Fm-3 (202) / materials id 31064](https://mdr.nims.go.jp/datasets/843fc939-6206-410f-864d-f71b0fe656c4)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>   8</c><c>N </c><c>     14.00100000</c><c>      5.00000000</c><c>  PAW_PBE N 08Apr2002                   </c></rc>    <rc><c>  48</c><c>B </c><c>     10.81100000</c><c>      3.00000000</c><c>  PAW_PBE B 06Sep2000                   </c></rc>    <rc><c>  80</c><c>H </c><c>      1.00000000</c><c>      1.00000000</c><c>  PAW_PBE H 15Jun2001                   </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.      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0.5000000000000000  0.8591915400000000  0.2694868700000000   0.0000000000000000  0.6408084600000000  0.2694868700000000   0.8059598500000000  0.6940401500000000  0.6940401500000000   0.8059598500000000  0.8059598500000000  0.8059598500000000   0.6940401500000000  0.8059598500000000  0.6940401500000000   0.6940401500000000  0.6940401500000000  0.8059598500000000   0.6940401500000000  0.8059598500000000  0.3059598500000000   0.6940401500000000  0.6940401500000000  0.1940401500000000   0.8059598500000000  0.6940401500000000  0.3059598500000000   0.8059598500000000  0.8059598500000000  0.1940401500000000vasp-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     2     2 0.000 0.000 0.000