Hi everyone
In the plots from paper? DOI:?10.1002/qua.560230435 (P. Blaha and K. Schwarz, Int. J. Quantum Chem. 23, 1535 (1983), it was determined in which case the Ti_d-C_p bonds are either bonding or anti-bonding. In such paper the electronic density for a K point, named Delta (which is in between the Gamma and X points) was calculated, as well as for two eigen-values with Delta symmetry. How can we calculate the corresponding electronic density for a given K point? We have searched for information both in the user guide and the Mailig list. thanks in advance. ? Jos? A. Camargo Mart?nez DEPARTAMENTO DE F?SICA CINVESTAV - M?XICO D.F. -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130221/39735344/attachment.htm>
