[Wien] Electronic density for a given K point.

[Jose Alfredo Camargo Martinez]

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.

 
José A. Camargo Martínez
DEPARTAMENTO DE FÍSICA
CINVESTAV - MÉXICO D.F.
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