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Re: [abinit-forum] GW calculation aborted "SCREENING: Calculation..." without any error message


Chronological Thread 
  • From: Quan Phung Manh <manhquank9@gmail.com>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] GW calculation aborted "SCREENING: Calculation..." without any error message
  • Date: Thu, 4 Jun 2009 20:28:17 +0700
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Dear Brian, in your input

natom 6           # There are two atoms
typat  1 2        # They both are of type 1, that is, Silicon.
xred              # Reduced coordinate of atoms
      0.00  0.00  0.00
      0.00  0.00  0.20759974608

Is it right (TiO2)?  Are there 2 Ti and 4 O?

Quan Phung Manh



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