[Pw_forum] Error in routine Broyden

Elio Physics elio-physics at live.com
Wed Oct 16 14:49:23 CEST 2013


Dear All,
I am trying to do some electron phonon/ phonon calculations using QE ; Everything works pretty well and calculations proceed for a few phonons then the code stops with the following complaint:
"stopping ...
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%     Error in routine broyden (1):     factorization %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%"
This is happening to all three systems I am working in (phonon calculations) . Please anyone can help how to surmount this problem.
Thanks 
ElioUniversity of RondonioBrazil 		 	   		  
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