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- 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 ?
----------------------------------------------------------------------------------------
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
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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