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[Ariesto Pamungkas <ariesto@physik.rwth-aachen.de>]

Dear All 
 
 I am calculating Ge1Sb2Te4 for spinel structure, 
it is difficult to converge athough I have 
increased nstep. my question are :  
1. what factors which influence convergence of    
   some compound? why some compound can converge   
   easily and not for others?  
2. How to solve convergence problem? 
3. I wonder , can I use smearing technic for this  
   non metalic compound?.  
 
I attach my input file and log file, I hope some 
one can give me clear explanation. 
 
Best regard