[Pw_forum] So many atomic wfc

[Paolo Giannozzi]

On Tue, Feb 2, 2016 at 1:11 PM, Hüseyin Yasin Uzunok <
hyuzunok at sakarya.edu.tr> wrote:

>      from partialdos_nc : error #        31
>      file extension not supporting so many atomic wfc
>
> I guess that the problem is upcoming from the number of allowed wfc
>

no, it is a rather dumb problem with file names and formats. You have to
modify this part (line 161 and following in PP/src/partialdos.f90):
        WRITE (filextension(c_tab:),'(")_wfc#",i1,"(",a1,")")')  &
             nlmchi(nwfc)%n, l_label(nlmchi(nwfc)%l)
to account for the case nlmchi(nwfc)%n > 9 (note the format i1)

Paolo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160202/4241dc1f/attachment.html>