vext.f90 ? > Dear users, > > I'm learning to generate UPFs using ld1.x code. We knew that the exchange > and correlation potential can be GGA or LDA, etc. My problem is: how could > I modify the potential expression? For example, I want to use a new > potential > based on GGA: V_new=V_GGA+W(r), which file in the "atomic/src" dir or > somewhere define the potential founction? > > Li Bin > binlinux at outlook.com > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum
Dr. Gabriele Sclauzero Materials Theory - ETHZ ETH Zurich, HIT G 43.2 Wolfgang-Pauli-Str. 27 8093 Z?rich, Switzerland Phone +41 44 633 94 10 Fax +41 44 633 14 59 gabriele.sclauzero at mat.ethz.ch www.theory.mat.ethz.ch
