Skip to Content.
Sympa Menu

forum - Re: [abinit-forum] A problem about GW calculation

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

Re: [abinit-forum] A problem about GW calculation


Chronological Thread 
  • From: Yusia Rosee <yrosee@gmail.com>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] A problem about GW calculation
  • Date: Tue, 29 Jan 2008 10:12:44 -0500
  • Domainkey-signature: a=rsa-sha1; c=nofws; d=gmail.com; s=gamma; h=message-id:date:from:user-agent:mime-version:to:subject:references:in-reply-to:content-type:content-transfer-encoding; b=q4fSGbvD7XlGDYBfPWXQ5a+TmLISLGhIfVScZkJKSvDaB6VqoQ61NGjgBkc1SFDHTmivfUHUkDGzmsxGNEtEQ+FI3H165ckRpcA+wvxHBm8vK+A6c+qtB6298o4du7Pv5ok9PzBXHj2sZjUeg7aPnks1LACbbOj3Q504P4GwwvQ=

Hello, Dear Anglade,

Thank you! The version I am using is 5.4.4. I think this is a recent version already, right?

Yusia

Anglade Pierre-Matthieu wrote:
Hi,

Wich version of Abinit are you using ? Recent versions can stand much larger FFT grids (up to ~65000). May be upgrading to a newer version of Abinit would help ?

Best

PMA

On Jan 28, 2008 7:59 PM, Yusia Rosee <yrosee@gmail.com <mailto:yrosee@gmail.com>> wrote:

Dear All,

When I do the screening calculation in the GW calculation without
using
the plasmon pole model, I get the following error:

......
timing point number 20
-cpu time = 0.02 seconds
-real time = 0.06 seconds

setmesh: npwwfn = 6043 ; Max (m1,m2,m3) = 11 11
11
setmesh: npweps/npwsigx = 2801 ; Max (mm1,mm2,mm3) = 10 10 10
addshell = 2
setmesh: using method 1 with aliasing_factor = 1

setmesh : finding a FFT mesh compatible with all the symmetries

setmesh : divisor mesh119119119

sizefft : ERROR-
nbest = 2049
is larger than any allowable FFT

leave_new : decision taken to exit ...


It seems related to the FFT grid. But when I decrease the cutoff
energies, I always get the same error. So, how to solve this problem,
please?

Thank you very much!

Yusia




--
Pierre-Matthieu Anglade




Archive powered by MHonArc 2.6.16.

Top of Page