[CPMD-list] Please Help!

[ade tunde]

Hello Everyone,

I am a new user of the CPMD V3.7.2 code. I have installed the codes on my PC. (Intel Pentium iii). I have problems running the code. Can any one help? I need to diagonalize a large scale Hamiltonian matrix of order > 4096 x 4096. Thanks in anticipation for useful clues.

Magnus




Mr A. M. Ukpong
Department of Physics
University of Cape Town
Rondebosch 7701
South Africa
Tel: + 27 21 650 3345
Fax: +27 21 650 3342
cell: +00927735446651
email: magnusukpong1 at yahoo.com
		
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