Bernd Pfrommer
Bernd Pfrommer
Projects
Publications
Contact
Light
Dark
Automatic
conjugate gradients energy functional cray t3e SGI power challenge
Conjugate-Gradient Based Electronic Structure Calculations on the Cray T3E and SGI PowerChallenge
We present a convergence analysis for the conjugate-gradient minimization of a Kohn-Sham energy functional, using a functional with implicit orthonormality constraints.
Cite
×