[Wien] Units of the momentum matrix elements

erely, Yong Woo Kim ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

[Wien] Refractive index calculation using kram

. Yours Sincerely, Yong Woo Kim ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

[Wien] dstart error in init_lapw

id not occur. Any help on why and how to solve this problem would be appreciated. Thank you very much. Yours Sincerely, Yong Woo Kim ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the

[Wien] Concerns on the obtained values of momentum matrix elements

t'? Or is there something that I need to do in order to deal with the cross over? Thank you once again for your kind reply. Yong Woo Kim ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEA

[Wien] Concerns on the obtained values of momentum matrix elements

h by using x kgen and run_lapw repeatedly from 1000 to 15000 and the results only had minor differences. Any help would be really appreciated. Thank you very much in advance. Yong Woo Kim ___ Wien mailing list Wien@zeus.theochem.tuwien.

Re: [Wien] Momentum matrix elements between certain bands along a path

om xcrysden x kgen x lapw1 x lapw2 -fermi x lapw1 -band x optic Thank you very much in advance. Best regards, Yong Woo Kim ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAI

[Wien] Momentum matrix elements between certain bands along a path

if anyone could help me on this matter. Thank you very much in advance. Best regards, Yong Woo Kim ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-a