# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/b4ce9d93-6203-4b81-bf80-197a66fa7641/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 LiP7 / I4_1/acd (142) / materials id 27687](https://mdr.nims.go.jp/datasets/c645d574-9c88-4bb7-8779-7ab7b5eb9423)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     1     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  16</c><c>Li</c><c>      7.01000000</c><c>      3.00000000</c><c>  PAW_PBE Li_sv 10Sep2004               </c></rc>    <rc><c> 112</c><c>P </c><c>     30.97400000</c><c>      5.00000000</c><c>  PAW_PBE P 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 P   1.0    13.3878628899999992    0.0000000000000000    0.0000000000000000     0.0000000000000000   13.3878628899999992    0.0000000000000000     0.0000000000000000    0.0000000000000000   14.5374173700000000 Li P  16 112Direct   0.1300495900000000  0.1300495900000000  0.2500000000000000   0.3699504100000000  0.1300495900000000  0.0000000000000000   0.6300495900000000  0.8699504100000000  0.0000000000000000   0.3699504100000000  0.3699504100000000  0.7500000000000000   0.3699504100000000  0.8699504100000000  0.5000000000000000   0.1300495900000000  0.8699504100000000  0.7500000000000000   0.8699504100000000  0.1300495900000000  0.7500000000000000   0.1300495900000000  0.6300495900000000  0.0000000000000000   0.6300495900000000  0.6300495900000000  0.7500000000000000   0.8699504100000000  0.6300495900000000  0.5000000000000000   0.1300495900000000  0.3699504100000000  0.5000000000000000   0.8699504100000000  0.8699504100000000  0.2500000000000000   0.8699504100000000  0.3699504100000000  0.0000000000000000   0.6300495900000000  0.3699504100000000  0.2500000000000000   0.3699504100000000  0.6300495900000000  0.2500000000000000   0.6300495900000000  0.1300495900000000  0.5000000000000000   0.3223460600000000  0.2960612400000000  0.0877225000000000   0.2039387600000000  0.3223460600000000  0.8377225000000000   0.7960612400000000  0.6776539400000000  0.8377225000000000   0.1776539400000000  0.2960612400000000  0.1622775000000000   0.8223460600000000  0.7039387600000000  0.1622775000000000   0.6776539400000000  0.7039387600000000  0.0877225000000000   0.2039387600000000  0.1776539400000000  0.9122775000000000   0.7960612400000000  0.8223460600000000  0.9122775000000000   0.1776539400000000  0.7039387600000000  0.6622775000000001   0.2960612400000000  0.6776539400000000  0.9122775000000000   0.7039387600000000  0.3223460600000000  0.9122775000000000   0.3223460600000000  0.7039387600000000  0.5877224999999999   0.6776539400000000  0.2960612400000000  0.5877224999999999   0.8223460600000000  0.2960612400000000  0.6622775000000001   0.2960612400000000  0.8223460600000000  0.8377225000000000   0.7039387600000000  0.1776539400000000  0.8377225000000000   0.3137360700000000  0.4425161300000000  0.0208880500000000   0.0574838700000000  0.3137360700000000  0.7708880499999999   0.9425161300000000  0.6862639300000000  0.7708880499999999   0.1862639300000000  0.4425161300000000  0.2291119500000000   0.8137360700000000  0.5574838700000000  0.2291119500000000   0.1862639300000000  0.0574838700000000  0.5208880499999999   0.5574838700000000  0.6862639300000000  0.4791119500000000   0.9425161300000000  0.8137360700000000  0.9791119500000000   0.1862639300000000  0.5574838700000000  0.7291119500000001   0.4425161300000000  0.6862639300000000  0.9791119500000000   0.5574838700000000  0.3137360700000000  0.9791119500000000   0.3137360700000000  0.5574838700000000  0.5208880499999999   0.6862639300000000  0.4425161300000000  0.5208880499999999   0.3137360700000000  0.9425161300000000  0.2291119500000000   0.9425161300000000  0.3137360700000000  0.2708880500000000   0.5574838700000000  0.1862639300000000  0.7708880499999999   0.0737116600000000  0.3316035000000000  0.0484532100000000   0.1683965000000000  0.0737116600000000  0.7984532100000000   0.8316034999999999  0.9262883400000000  0.7984532100000000   0.9262883400000000  0.8316034999999999  0.7015467900000000   0.0737116600000000  0.1683965000000000  0.7015467900000000   0.9262883400000000  0.6683965000000001  0.0484532100000000   0.1683965000000000  0.4262883400000000  0.9515467900000000   0.8316034999999999  0.5737116600000001  0.9515467900000000   0.4262883400000000  0.6683965000000001  0.7015467900000000   0.3316035000000000  0.9262883400000000  0.9515467900000000   0.6683965000000001  0.0737116600000000  0.9515467900000000   0.5737116600000001  0.1683965000000000  0.0484532100000000   0.4262883400000000  0.8316034999999999  0.0484532100000000   0.5737116600000001  0.3316035000000000  0.7015467900000000   0.3316035000000000  0.5737116600000001  0.7984532100000000   0.6683965000000001  0.4262883400000000  0.7984532100000000   0.4565226600000000  0.7500000000000000  0.3750000000000000   0.2500000000000000  0.9565226600000000  0.6250000000000000   0.2500000000000000  0.5434773399999999  0.1250000000000000   0.0434773400000000  0.7500000000000000  0.8750000000000000   0.0434773400000000  0.2500000000000000  0.3750000000000000   0.2500000000000000  0.0434773400000000  0.1250000000000000   0.2500000000000000  0.4565226600000000  0.6250000000000000   0.4565226600000000  0.2500000000000000  0.8750000000000000   0.8223460600000000  0.7960612400000000  0.5877224999999999   0.7039387600000000  0.8223460600000000  0.3377225000000000   0.2960612400000000  0.1776539400000000  0.3377225000000000   0.6776539400000000  0.7960612400000000  0.6622775000000001   0.3223460600000000  0.2039387600000000  0.6622775000000001   0.1776539400000000  0.2039387600000000  0.5877224999999999   0.7039387600000000  0.6776539400000000  0.4122775000000000   0.2960612400000000  0.3223460600000000  0.4122775000000000   0.6776539400000000  0.2039387600000000  0.1622775000000000   0.7960612400000000  0.1776539400000000  0.4122775000000000   0.2039387600000000  0.8223460600000000  0.4122775000000000   0.8223460600000000  0.2039387600000000  0.0877225000000000   0.1776539400000000  0.7960612400000000  0.0877225000000000   0.3223460600000000  0.7960612400000000  0.1622775000000000   0.7960612400000000  0.3223460600000000  0.3377225000000000   0.2039387600000000  0.6776539400000000  0.3377225000000000   0.8137360700000000  0.9425161300000000  0.5208880499999999   0.5574838700000000  0.8137360700000000  0.2708880500000000   0.4425161300000000  0.1862639300000000  0.2708880500000000   0.6862639300000000  0.9425161300000000  0.7291119500000001   0.3137360700000000  0.0574838700000000  0.7291119500000001   0.6862639300000000  0.5574838700000000  0.0208880500000000   0.0574838700000000  0.1862639300000000  0.9791119500000000   0.4425161300000000  0.3137360700000000  0.4791119500000000   0.6862639300000000  0.0574838700000000  0.2291119500000000   0.9425161300000000  0.1862639300000000  0.4791119500000000   0.0574838700000000  0.8137360700000000  0.4791119500000000   0.8137360700000000  0.0574838700000000  0.0208880500000000   0.1862639300000000  0.9425161300000000  0.0208880500000000   0.8137360700000000  0.4425161300000000  0.7291119500000001   0.4425161300000000  0.8137360700000000  0.7708880499999999   0.0574838700000000  0.6862639300000000  0.2708880500000000   0.5737116600000001  0.8316034999999999  0.5484532100000000   0.6683965000000001  0.5737116600000001  0.2984532100000000   0.3316035000000000  0.4262883400000000  0.2984532100000000   0.4262883400000000  0.3316035000000000  0.2015467900000000   0.5737116600000001  0.6683965000000001  0.2015467900000000   0.4262883400000000  0.1683965000000000  0.5484532100000000   0.6683965000000001  0.9262883400000000  0.4515467900000000   0.3316035000000000  0.0737116600000000  0.4515467900000000   0.9262883400000000  0.1683965000000000  0.2015467900000000   0.8316034999999999  0.4262883400000000  0.4515467900000000   0.1683965000000000  0.5737116600000001  0.4515467900000000   0.0737116600000000  0.6683965000000001  0.5484532100000000   0.9262883400000000  0.3316035000000000  0.5484532100000000   0.0737116600000000  0.8316034999999999  0.2015467900000000   0.8316034999999999  0.0737116600000000  0.2984532100000000   0.1683965000000000  0.9262883400000000  0.2984532100000000   0.9565226600000000  0.2500000000000000  0.8750000000000000   0.7500000000000000  0.4565226600000000  0.1250000000000000   0.7500000000000000  0.0434773400000000  0.6250000000000000   0.5434773399999999  0.2500000000000000  0.3750000000000000   0.5434773399999999  0.7500000000000000  0.8750000000000000   0.7500000000000000  0.5434773399999999  0.6250000000000000   0.7500000000000000  0.9565226600000000  0.1250000000000000   0.9565226600000000  0.7500000000000000  0.3750000000000000vasp-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     1     1     1 0.000 0.000 0.000