subject:"\[Wien\] Regarding XAS calculations in WIEN2K"

Re: [Wien] Regarding XAS calculations in WIEN2K

2016-06-14 Thread sikander Azam

Resp sir Thanks for the reply. Regards Azam On 10 Jun 2016 04:10, "Peter Blaha" 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

[Wien] Regarding XAS calculations in WIEN2K

2016-06-09 Thread sikander Azam

Dear All In XAS calculations, do we include the electric quadrupole transitions. Regards Azam ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: