Dear allI read the paper of David Koller (PRB 85, 155109(2012)), in which he 
mentioned that one can set some other mBJ parameters. However, I find, in the 
user's guide, that one can define them in case.in0abp. Just put 3 values A,B,e. 
My question is that what is the format of the case.in0abp? When I do the mBJ 
calculation follow the step in user's guide, I find the empty case.in0abp has 
been created. If I add the 3 parameters in the case.in0abp before the mBJ scf 
calculation then I is using the new parameters?
best wishes!
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Reply via email to