# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/1bebd9a0-fb40-4381-8ef4-e95c47410ec7/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 Li7SbO6 / R3 (146) / materials id 27453](https://mdr.nims.go.jp/datasets/f8aab715-df40-470b-a0db-e90bff0eecb3)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     4     4     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  21</c><c>Li</c><c>      7.01000000</c><c>      3.00000000</c><c>  PAW_PBE Li_sv 10Sep2004               </c></rc>    <rc><c>  18</c><c>O </c><c>     16.00000000</c><c>      6.00000000</c><c>  PAW_PBE O 08Apr2002                   </c></rc>    <rc><c>   3</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 = 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 Sb   1.0     5.5528710099999996    0.0000000000000000    0.0000000000000000    -2.7764354999999998    4.8089273600000002    0.0000000000000000     0.0000000000000000    0.0000000000000000   14.5047916400000005 Li O Sb  21  18   3Direct   0.0000000000000000  0.0000000000000000  0.6543776299999999   0.2758389600000000  0.3271148300000000  0.4481197100000000   0.0512758700000000  0.7241610400000000  0.4481197100000000   0.6728851700000000  0.9487241300000000  0.4481197100000000   0.6825080600000000  0.6160224400000001  0.5529669699999999   0.9335143700000000  0.3174919400000000  0.5529669699999999   0.3839775600000000  0.0664856300000000  0.5529669699999999   0.6666666700000000  0.3333333300000000  0.9877109700000000   0.9425056200000000  0.6604481600000001  0.7814530500000000   0.7179425400000000  0.0574943800000000  0.7814530500000000   0.3395518400000000  0.2820574600000000  0.7814530500000000   0.3491747300000000  0.9493557700000000  0.8863003000000000   0.6001810400000001  0.6508252700000000  0.8863003000000000   0.0506442300000000  0.3998189600000000  0.8863003000000000   0.3333333300000000  0.6666666700000000  0.3210443000000000   0.6091722900000001  0.9937815000000000  0.1147863800000000   0.3846092100000000  0.3908277100000000  0.1147863800000000   0.0062185000000000  0.6153907900000000  0.1147863800000000   0.0158414000000000  0.2826891000000000  0.2196336400000000   0.2668477100000000  0.9841586000000000  0.2196336400000000   0.7173109000000000  0.7331522900000000  0.2196336400000000   0.6592106400000000  0.6185840000000000  0.4172009800000000   0.2953621400000000  0.3525299600000000  0.5864194899999999   0.0571678200000000  0.7046378600000001  0.5864194899999999   0.3814160000000000  0.0406266400000000  0.4172009800000000   0.9593733600000000  0.3407893600000000  0.4172009800000000   0.6474700400000000  0.9428321800000000  0.5864194899999999   0.3258773100000000  0.9519173300000000  0.7505343200000000   0.9620288000000000  0.6858632900000000  0.9197528200000000   0.7238344900000000  0.0379712000000000  0.9197528200000000   0.0480826700000000  0.3739599800000000  0.7505343200000000   0.6260400200000000  0.6741226900000000  0.7505343200000000   0.3141367100000000  0.2761655100000000  0.9197528200000000   0.9925439700000001  0.2852506600000000  0.0838676500000000   0.6286954700000000  0.0191966300000000  0.2530861500000000   0.3905011600000000  0.3713045300000000  0.2530861500000000   0.7147493400000000  0.7072933100000001  0.0838676500000000   0.2927066900000000  0.0074560300000000  0.0838676500000000   0.9808033700000000  0.6094988400000000  0.2530861500000000   0.6666666700000000  0.3333333300000000  0.3348342400000000   0.3333333300000000  0.6666666700000000  0.6681675700000000   0.0000000000000000  0.0000000000000000  0.0015009100000000vasp-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     1 0.000 0.000 0.000