[Pw_forum] (no subject)

[Paolo Giannozzi]

You might write a code that does that, but I am not sure it is worth the effort

Paolo

________________________________________
From: pw_forum-bounces at pwscf.org <pw_forum-bounces at pwscf.org> on behalf of Ulman Kanchan Ajit <kulman at ictp.it>
Sent: Friday, April 10, 2015 19:12
To: pw_forum at pwscf.org
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.




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