[Pw_forum] Recurring problem when starting "from_scratch" with pw.x

[Paolo Giannozzi]

On Thursday 14 April 2005 16:33, Alcantara Ortigoza, Marisol wrote:

> I understand that the imaginary charge may be the problem but 
> what is strange is that I have tried to run the calculation for over
> 30 times, starting "from_scratch" and getting the same warning
> and the same result. 

so don't insist: if it happens 30 times in a row, it is clearly reproducible!

> And it is independent of the system. Do you know what could be
> causing that the starting charge, suddenly, is messed up every
> time for every system?

messed up pseudopotential files?

> What could I do then? 

submit a test job, with indication of where your PP files come from

P.

-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
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