[Wien] symmetry in optimization

stargmoon stargmoon at yahoo.com
Thu Jan 20 22:29:37 CET 2005


Dear wien community,
 
It seems that the symmetry changes during the mini_lapw process. Here I only want to optimize the internal parameters, why does the symmetry change? Doesn't WIEN keep the symmetry during minimization or did I do something wrong? (The command line I used is: min -j "run_lapw -i 50 -p -fc 1" with version WIEN2k_03)
 
Best,
 
Stargmoon

		
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