You might write a code that does that, but I am not sure it is worth the effort
Paolo ________________________________________ From: [email protected] <[email protected]> on behalf of Ulman Kanchan Ajit <[email protected]> Sent: Friday, April 10, 2015 19:12 To: [email protected] Subject: [Pw_forum] (no subject) Dear Users, I have performed two scf calculations: 1. system A ( a slab of Ga2O3) 2. system B ( a slab of Fe2O3) Both these calculations have been performed with identical input parameters, so that the number of G-vectors are the same for both. I want to use the sum of the charge-densities/potentials of system A and system B as a starting guess for the scf calculation of system A+B. Is there a way/script available to do this? Any help is appreciated. Thanks, Kanchan. ------------------------------------------------ Dr. Kanchan Ulman, Post Doctoral Fellow, ICTP, Trieste. _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
