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[James Raynolds <JRaynolds@uamail.albany.edu>]

Dear Ari,

        I did work on strained GaAs for my Ph.D. and my collaborators have
done strained Si. Please have a look at PRB 51, 10477 (1995) and references
cited as well as citing references.  Xavier also has published some work
along these lines recently.  We didn't use GW but rather the scissors
operator correction.

        You should be able to do what you want to do with GW but beware, the
calculations take forever and require a lot of memory.  There is work
currently underway to improve the GW implementation (see the release notes
for the most recent abinit version).

Sincerely,
Jim Raynolds, Ph.D.
Assistant Professor, School of NanoSciences and NanoEngineering
University at Albany, State University of New York 

-----Original Message-----
From: Ari Kay [mailto:akay@uclink.berkeley.edu]
Sent: Thursday, May 29, 2003 11:20 AM
To: Abinit
Subject: [abinit-forum] GW approximation


Hello,
   My name is Ari Kay and I am a graduate student at the University of
California, Berkeley.  I am currently working on a project that involves
straining silicon on the {111} plane in the <11-2> direction.  I am looking
at
the density of states as a fucntion of this strain.  I used a simulation
package with an LDA psuedopotential that I am afraid will give a band gap
that
is too small.  I would like to know if the GW potentials in ABINIT are used
to
calculate the total energy of the system, or if it is only used to calculate
the electronic energy.

Ari Kay