[CPMD-list] linear response calculation

Salomon Billeter ZRLSRB at ch.ibm.com
Fri Feb 4 16:44:22 CET 2005


Dear Axel,

> i beg to differ here. defaults should be set to something that
> works, even if it is not very efficient. if one cannot produce
> reasonable defaults, there should be a test in the code demanding
> additional input (e.g. a &LINRES section in the current example)
> and specific instructions or at least some hints in the manual.

you are right, we don't differ here. Defaults should be sensible. That's
why I wrote I'll look into the problem when I have the time.

Best regards,
Salomon




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