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[abinit-forum] optimization


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  • From: PGanesh <pganesh@ciw.edu>
  • To: forum@abinit.org
  • Subject: [abinit-forum] optimization
  • Date: Mon, 19 May 2008 17:30:30 -0300

Hi,

I would like to do a calculaion where the vecors 'a' and 'b' are kept constant, while 'c' would be optimized. I find that 'opcell = 6" would optimize the magnitude of 'c', but not its angle with 'a' and 'b' (i.e. alpha and beta). Is it possible to optimize all three (i.e. magnitude and the two angles that vector 'c' would make) using Abinit?
Thanks,
Ganesh


  • [abinit-forum] optimization, PGanesh, 05/19/2008

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