[Pw_forum] functional

Fang, Yuan yfang1 at tulane.edu
Thu Mar 18 19:43:43 CET 2010


Hello;
  How can we change different functional used in the self-consistent calculation for atom ,like from LDA to GGA? Is there any variable to control this or just by changing the pseudopotentials?
    Thank you!
                                                     Y Fang
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