# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/aec8832d-8ff4-41d5-b379-380b9beaedad/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 Li3In2(PO4)3 / R-3 (148) / materials id 6425](https://mdr.nims.go.jp/datasets/33678252-f437-42b0-8fd0-54f225095d2a)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     3     3     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  18</c><c>Li</c><c>      7.01000000</c><c>      3.00000000</c><c>  PAW_PBE Li_sv 10Sep2004               </c></rc>    <rc><c>  72</c><c>O </c><c>     16.00000000</c><c>      6.00000000</c><c>  PAW_PBE O 08Apr2002                   </c></rc>    <rc><c>  18</c><c>P </c><c>     30.97400000</c><c>      5.00000000</c><c>  PAW_PBE P 06Sep2000                   </c></rc>    <rc><c>  12</c><c>In</c><c>    114.82000000</c><c>     13.00000000</c><c>  PAW_PBE In_d 06Sep2000                </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/POSCAR-unitcell Li O P In   1.0     8.5485240200000003    0.0000000000000000    0.0000000000000000    -4.2742620200000001    7.4032389600000004    0.0000000000000000     0.0000000000000000    0.0000000000000000   23.2726061699999995 Li O P In  18  72  18  12Direct   0.3779413900000000  0.3587485400000000  0.2866631800000000   0.9808071500000000  0.6220586100000001  0.2866631800000000   0.6412514600000000  0.0191928500000000  0.2866631800000000   0.2887252800000000  0.9745847900000000  0.0466701600000000   0.6858595199999999  0.7112747200000000  0.0466701600000000   0.0254152100000000  0.3141404800000000  0.0466701600000000   0.0446080500000000  0.6920818700000000  0.6199965100000000   0.6474738200000000  0.9553919500000000  0.6199965100000000   0.3079181300000000  0.3525261800000000  0.6199965100000000   0.9553919500000000  0.3079181300000000  0.3800034900000000   0.3525261800000000  0.0446080500000000  0.3800034900000000   0.6920818700000000  0.6474738200000000  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0.2968027300000000  0.2510007100000000   0.2975581800000000  0.0007554600000000  0.2510007100000000   0.7031972700000000  0.7024418200000000  0.2510007100000000   0.3340887900000000  0.3698639400000000  0.4156659600000000   0.0357751500000000  0.6659112100000000  0.4156659600000000   0.6301360600000000  0.9642248500000000  0.4156659600000000   0.6659112100000000  0.6301360600000000  0.5843340400000000   0.9642248500000000  0.3340887900000000  0.5843340400000000   0.3698639400000000  0.0357751500000000  0.5843340400000000   0.0007554600000000  0.7031972700000000  0.7489992900000000   0.7024418200000000  0.9992445400000000  0.7489992900000000   0.2968027300000000  0.2975581800000000  0.7489992900000000   0.3325778700000000  0.9634694000000000  0.9176673800000000   0.6308915100000000  0.6674221300000001  0.9176673800000000   0.0365306000000000  0.3691084900000000  0.9176673800000000   0.3333333300000000  0.6666666700000000  0.0122887800000000   0.3333333300000000  0.6666666700000000  0.3210445600000000   0.6666666700000000  0.3333333300000000  0.1874205700000000   0.0000000000000000  0.0000000000000000  0.1459127700000000   0.0000000000000000  0.0000000000000000  0.3456221100000000   0.0000000000000000  0.0000000000000000  0.6543778900000000   0.3333333300000000  0.6666666700000000  0.5207539000000000   0.6666666700000000  0.3333333300000000  0.4792461000000000   0.6666666700000000  0.3333333300000000  0.6789554400000000   0.6666666700000000  0.3333333300000000  0.9877112200000000   0.0000000000000000  0.0000000000000000  0.8540872300000000   0.3333333300000000  0.6666666700000000  0.8125794300000000vasp-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     3     3     1 0.000 0.000 0.000