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Re: FW: Re: [abinit-forum] Convergence worse with higher cutoff on CaFeO2,5.


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  • From: eibl@ill.fr
  • To: forum@abinit.org
  • Subject: Re: FW: Re: [abinit-forum] Convergence worse with higher cutoff on CaFeO2,5.
  • Date: Wed, 15 Mar 2006 15:19:03 +0100

Hello,

I have tried to include the paramter iprcel 44 into the [PMA] simulation
without changing anything else.
As a result I got the following error message:
________________________________________________________________________________
-P-0000
-P-0000 sphereboundary: BUG -
-P-0000 iloop,igb,mgb= 2 165 164
-P-0000 about to overwrite gbound.
-P-0000
-P-0000 leave_new : decision taken to exit ...
-P-0000 leave_new : synchronization done...
-P-0000 leave_new : exiting...
________________________________________________________________________________

A colleague of mine gets the same error message when trying to use the iprcel
function in her system.

Nice Regards
Stefan Eibl



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