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[abinit-forum] Error in Finite Field Calculations


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  • From: Skorlans Mathew <skorlans@gmail.com>
  • To: forum@abinit.org
  • Subject: [abinit-forum] Error in Finite Field Calculations
  • Date: Wed, 1 Apr 2009 12:25:50 +0200 (CEST)

Dear users,
I am doing Polarization calculations with finite field for cubic YMnO3.While
doing calculations i got the following error message
"initberry: ERROR -
In a finite electric field calculation, nband must be equal to the number
of valence bands."
i have used nband as 14. I tried changing nband to 13,15,16 etc...still same
error occurred .
I will be greatfull if any one can suggest how to overcome this.

Thanks and Regards
Skorlans K M
NITT- India



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