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Re: Re: [abinit-forum] Re: convergence problem of piezoelectric tensor calculation


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  • From: occupierliu@yahoo.com.cn
  • To: forum@abinit.org
  • Subject: Re: Re: [abinit-forum] Re: convergence problem of piezoelectric tensor calculation
  • Date: Mon, 14 Mar 2005 14:29:33 +0100

Dear Mihir Sen and Yukihiro Okuno:
Thanks for your answers firstly, and you can call me Yong Liu. ^_^
I've optimized the structure of the cell but I want to calculate the
piezoelectric tensor from the experimental strcuture parameters. I think
maybe there are "theoretic" and "real" piezoelectric tensors according to
experimental and optimized structure parameters. In your option, the
optimization is essential? I'll try it again.
And for Okuno (is this right? or Yukihiro) you say your input file costs
24hs on PIV 3.0G machine in passing mail. I've try your file on my PIV 3.0G
machine but its costed more than two days. Maybe I losted some import things.
May I have your *.files and psp files?



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