[Pw_forum] (no subject)

[Ulman Kanchan Ajit]

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.