[Wien] Regarding XAS calculations in WIEN2K

sikander Azam sikander.physicst at gmail.com
Tue Jun 14 10:23:08 CEST 2016


Resp sir
Thanks for the reply.
Regards
Azam
On 10 Jun 2016 04:10, "Peter Blaha" <pblaha at theochem.tuwien.ac.at> wrote:

> No, not in xspec.
>
> Telnes has some mode to consider also non-dipole transitions.
>
> Am 09.06.2016 um 09:50 schrieb sikander Azam:
>
>> Dear All
>> In XAS calculations, do we include the electric quadrupole transitions.
>> Regards
>> Azam
>>
>>
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> --
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