[CPMD-list] Address Error?

[Juerg Hutter]

Hi

I couldn't reproduce your errors. However, I only
tested it with normconserving PP, not USPP's.
Anyway, I strongly advice you to use the
FUNCTIONAL xxx
keyword to specify the functionals. This way
you can be sure that you are using a meaningfull
combination of x and c functionals.
The functional you have specified in your first
mail for example is missing a local exchange part!

Juerg

----------------------------------------------------------
Juerg Hutter                   Phone : ++41 1 635 4491
Physical Chemistry Institute   FAX   : ++41 1 635 6838
University of Zurich           E-mail: hutter at pci.unizh.ch
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland
----------------------------------------------------------


On Tue, 4 Mar 2003, Erik Santiso wrote:

>
> Hi again. I've been experimenting with the "LDA CORRELATION" keywords and it seems that whenever I choose anything other than the default (Pade) I get an address error. I tried compiling the code on an Alpha machine and I get a different error message (divide by zero). Any ideas?
>
> Thanks!
>
> Erik.
>
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