[Pw_forum] xc functional

Fang, Yuan yfang1 at tulane.edu
Wed Mar 10 20:43:15 CET 2010


Hey;
    Anyone know how to control the xc functional used in the scf calculation?I cant find the variable in the input to adjust this.And where are the file  in the source code that describe different functionals,we want to change pbe to pbesol if possible.
           Thank you!
                             Y Fang
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