[Pw_forum] Error : from cdiaghg : error #363, info =/= 0

[Lorenzo Paulatto]

In data 14 luglio 2009 alle ore 11:54:05, dev sharma <decboy9 at gmail.com>  
ha scritto:
> so is the same error is  due to that fact ????

No, I can exclude this possibility.

On the other hand, I've had a look at your structure with xcrysden and,  
although I've had some problem displaying it, I think you may have made  
some mistake in setting the atoms positions; if some core regions overlap  
too much it is likely to cause those kind of diagonalization errors.  
Please have a second look at your structure, be expecially careful to NOT  
include both and atom and one of its periodic replicas!

best regards

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Lorenzo Paulatto
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