Dielectric constant as a function of low frequency
Posted: Fri Jun 20, 2014 4:31 pm
I want to calculate the dielectric function in the rang of 0-10GHz (0 to 0.04 meV)
If I use LOPTICS = .TRUE.
I have
frequency dependent REAL DIELECTRIC FUNCTION (?????????)
E(ev) X Y Z XY YZ ZX
--------------------------------------------------------------------------------------
0.000000 2.409053 2.331158 2.273436 0.000000 0.000000 0.000000
0.213491 2.410876 2.332897 2.274978 0.000000 0.000000 0.000000
0.426981 2.416394 2.338149 2.279641 ???????????????????
If I used LEPSILON = .TRUE. and IBRION = 8
I have only
STATIC DIELECTRIC TENSOR ? at zero frequency
How can I set the parameters in INCAR to determine dielectric constant as a function of low frequency (up to 0.04 meV)?
If I use LOPTICS = .TRUE.
I have
frequency dependent REAL DIELECTRIC FUNCTION (?????????)
E(ev) X Y Z XY YZ ZX
--------------------------------------------------------------------------------------
0.000000 2.409053 2.331158 2.273436 0.000000 0.000000 0.000000
0.213491 2.410876 2.332897 2.274978 0.000000 0.000000 0.000000
0.426981 2.416394 2.338149 2.279641 ???????????????????
If I used LEPSILON = .TRUE. and IBRION = 8
I have only
STATIC DIELECTRIC TENSOR ? at zero frequency
How can I set the parameters in INCAR to determine dielectric constant as a function of low frequency (up to 0.04 meV)?