Hi, Just go to /Modules/parameters.f90, and change ntypx=10 to that you want to. Then make clean and make pw (or whatever you want to re-compile).
Bests, Eyvaz. ------------------------------------------------------------------- Prof. Eyvaz Isaev, Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com ________________________________ From: mohnish pandey <[email protected]> To: PWSCF Forum <pw_forum at pwscf.org> Sent: Wed, December 22, 2010 1:30:07 PM Subject: [Pw_forum] calculation for system having number of different species greater than 10 Dear QE users, I want to do some calculations having number of different species greater than 10. I want to know is it possible to increase the dimension of QE for more than 10 different species. -- Regards, MOHNISH, ----------------------------------------------------------------- Mohnish Pandey Y6927262,5th Year dual degree student, Department of Chemical Engineering, IIT KANPUR, UP, INDIA ----------------------------------------------------------------- -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20101222/e1ceb522/attachment-0001.htm
