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[abinit-forum] GW not work for Ce


Chronological Thread 
  • From: sappler <shipeng_2000@163.com>
  • To: forum <forum@abinit.org>
  • Subject: [abinit-forum] GW not work for Ce
  • Date: Wed, 30 Dec 2009 08:16:24 +0800 (CST)

Dear all,
   I tried the GW method in  ABINIT 5.8.4 to calculate
 a modified band structure for cerium oxide (Ce2O3),
 but after printing out the following message, the cal.
 was stopped by the ABINIT program. I wonder if there is
 some difficulty when the GW  method treat f(l=2) electron?
 Or it's just a version problem, and will be included in
 the future? ABINIT 6.0 ?
 
----------------------------------------------------------------------------------------
 screening : taking advantage of time-reversal symmetry
 Maximum band index for partially occupied states nbvw =     8
 Remaining bands to be divided among processors   nbcw =     8
 Number of bands treated by each node ~    8

 int_ang :  -
  Not designed for angular momentum greater than 2 !

&n bsp;leave_new : decision taken to exit ...
 
-----------------------------------------------------------------------------------------

any advice or comment is welcomed!

Shipeng
20091230
State Key Laboratory for Surface Physics and Chemistry
P.O. Box 718-36,Mianyang 621907
Sichuan, P.R. China
Email:shipeng_2000@163.com




  • [abinit-forum] GW not work for Ce, sappler, 12/30/2009

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