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

[Paolo Giannozzi]

On Sun, Nov 1, 2015 at 9:39 PM, stefano de gironcoli <degironc at sissa.it>
wrote:

>
> In passing, while looking into that, I found a bug PW/src/init_us_2.f90
>
> At the beginning of the routine the out variable vkb_ should be initialized
> vkb_(:, :) = (0.d0,0.d0)
>
> I had some NaN due to that and adding the zeroing solved it.
>
> I thought that having defined the variable INTENT(OUT) it should be zeroed
> automatically but probably it is not always like that. thanks.
>

moreover, one should never access those array elements. Anyway: see the
commit I just made

Paolo

-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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