[Wien] Telnes on low loss region

[tran at theochem.tuwien.ac.at]

You need to do only a post-scf single iteration with a dense
k-kmesh (option -newklist).

On Fri, 26 Feb 2016, Peter Blaha wrote:

> Yes it is. However: either lapwso OR hf, not both together.
>
> And: optic usually needs a very good k-mesh and for eps-1 (and E-loss) 
> eigenvalues up to high energies, so hybrids will get expensive soon.
>
> Am 26.02.2016 um 19:29 schrieb Laurence Marks:
>> Thanks, I thought so. It would be nice to have the relativistic terms
>> for low loss EELS.
>> 
>> As a follow up, is optic compatible with (full) hybrids?
>> 
>> On Feb 26, 2016 12:27, "Peter Blaha" <pblaha at theochem.tuwien.ac.at
>> <mailto:pblaha at theochem.tuwien.ac.at>> wrote:
>>
>>     No.
>>     For this you use the   optic package. It gives the dielectric function,
>>     but also directly the loss-function. And you can add SO to the
>>     calculations if necessary.
>>
>>     Am 26.02.2016 um 18:34 schrieb Laurence Marks:
>>      > I suspect I know the answer, but I will ask anyway. Can Telnes be
>>     used
>>      > for low-loss EELS (0-40 eV) with relativistic terms, or only core
>>     losses?
>>      >
>>      >
>>      >
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>>     --
>>     --------------------------------------------------------------------------
>>     Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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>
> -- 
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
> Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
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