The ABINIT Users Mailing List ( CLOSED )

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

Dear Lu Fu-Fa,

 

    I'm confused. What are these shape prefactors?

 

Jim Raynolds

-----Original Message-----
From: Lu Fu-Fa [mailto:g930102@ccit.edu.tw]
Sent: Friday, April 11, 2003 6:43 AM
To: forum@abinit.org
Subject: [abinit-forum] Shape prefactors of GW calculation beyond fcc cell

Dear abinitioners,

 

I have derived some useful Shape prefactors of GW calculation
beyond fcc cell. It is simply take considering the shortest distance

from the center of BZ to the BZ face for each cell.

 

sc  lattice = 6.188
bcc lattice = 6.946
fcc lattice = 7.431
wz  lattice = 5.255 (hcp, for ideal u=3/8) , wz(wurtzite)

 

Try GW!

 

Lu Fu-Fa   Apr/11/2003
=======================================================
Lu Fu-Fa, Doctoral Student, E-mail: g930102@ccit.edu.tw
Semiconductors Lab., Dept. of Applied Physics
Chung Cheng Institute of Technology (CCIT), TW
=======================================================