[Pw_forum] calculation for system having number of different species greater than 10

[Eyvaz Isaev]

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 <mohnish.iitk at gmail.com>
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
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