# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/16d9c03a-6695-4188-a929-60d9595d2c6d/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 Li8GeO6 / P6_3cm (185) / materials id 28548](https://mdr.nims.go.jp/datasets/e2468374-5566-4c95-921c-a0547aa9df05)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     4     4     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>   8</c><c>Ge</c><c>     72.61000000</c><c>     14.00000000</c><c>  PAW_PBE Ge_d 03Jul2007                </c></rc>    <rc><c>  64</c><c>Li</c><c>      7.01000000</c><c>      3.00000000</c><c>  PAW_PBE Li_sv 10Sep2004               </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 = 648.744200     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/INCAR-nac      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 648.744200     EDIFF = 1.000000e-08    ISMEAR = 0     SIGMA = 1.000000e-02     IALGO = 38     LREAL = .FALSE.   ADDGRID = .TRUE.     LWAVE = .FALSE.    LCHARG = .FALSE.  LEPSILON = .TRUE.vasp-settings/POSCAR-unitcell Ge Li O   1.0     5.4738115599999997    0.0000000000000000    0.0000000000000000    -2.7369057799999998    4.7404598699999996    0.0000000000000000     0.0000000000000000    0.0000000000000000   10.6954973399999993 Ge Li O   2  16  12Direct   0.0000000000000000  0.0000000000000000  0.0005666400000000   0.0000000000000000  0.0000000000000000  0.5005666400000000   0.3333333300000000  0.6666666700000000  0.5899211400000000   0.6666666700000000  0.3333333300000000  0.0899211400000000   0.3333333300000000  0.6666666700000000  0.0899211400000000   0.6666666700000000  0.3333333300000000  0.5899211400000000   0.3984569400000000  0.3984569400000000  0.3697257800000000   0.3984569400000000  0.0000000000000000  0.8697257800000000   0.0000000000000000  0.3984569400000000  0.8697257800000000   0.0000000000000000  0.6015430600000000  0.3697257800000000   0.6015430600000000  0.0000000000000000  0.3697257800000000   0.6015430600000000  0.6015430600000000  0.8697257800000000   0.3109150000000000  0.3109150000000000  0.7296666900000000   0.3109150000000000  0.0000000000000000  0.2296666900000000   0.0000000000000000  0.3109150000000000  0.2296666900000000   0.0000000000000000  0.6890849999999999  0.7296666900000000   0.6890849999999999  0.0000000000000000  0.7296666900000000   0.6890849999999999  0.6890849999999999  0.2296666900000000   0.0000000000000000  0.0000000000000000  0.8320408100000000   0.0000000000000000  0.0000000000000000  0.3320408100000000   0.3333333300000000  0.6666666700000000  0.7807254100000001   0.6666666700000000  0.3333333300000000  0.2807254100000000   0.3333333300000000  0.6666666700000000  0.2807254100000000   0.6666666700000000  0.3333333300000000  0.7807254100000001   0.3075515200000000  0.3075515200000000  0.5476740300000000   0.3075515200000000  0.0000000000000000  0.0476740300000000   0.0000000000000000  0.3075515200000000  0.0476740300000000   0.0000000000000000  0.6924484799999999  0.5476740300000000   0.6924484799999999  0.0000000000000000  0.5476740300000000   0.6924484799999999  0.6924484799999999  0.0476740300000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 648.744200     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     4     2 0.000 0.000 0.000