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[abinit-forum] convergence test


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  • From: ghada ameereh <ghaddosh@yahoo.com>
  • To: mailing list for abinit <forum@abinit.org>
  • Subject: [abinit-forum] convergence test
  • Date: Mon, 19 May 2008 07:32:06 -0700 (PDT)
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dear abinitor:
i want to calculate electronic properties of
Ni4SiGe3.but in optimization output file we get lack
of convegence (Etot changes continuously ), the input
,output and psp files are attached.(i began the
optimization with orthorhombic lattice structure).if
you have any information about this problem please
send me and i will appreciate that for you.

gada






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