[Q-e-developers] [Pw_forum] Test on the WF phase in QE

stefano de gironcoli degironc at sissa.it
Tue Nov 3 01:57:42 CET 2015


I think that if the variable is INTENT(OUT) it is NaN when the routine 
is called.
just because you are stating that even if you are passing the variable 
as an argument its
value is assumed to be specified on OUTPUT not in INPUT.
Then different compilers might be more tolerant.

stefano


On 02/11/2015 13:08, Paolo Giannozzi wrote:
>
>     The variable should be initialized before assigning it a value.
>
>
> no, it shouldn't: all elements are assigned a value. Maybe you are 
> trying to access an element vkb(i,j) with j > nkb? are you sure that 
> the array passed as vkb_ has the proper dimension?
>
> Paolo
> -- 
> Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216 <tel:%2B39-0432-558216>, fax +39-0432-558222 
> <tel:%2B39-0432-558222>
>
>
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