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Re: [abinit-forum] More help needed with screening calculation


Chronological Thread 
  • From: "Rick Muller" <rmuller@sandia.gov>
  • To: valerio.olevano@polytechnique.fr
  • Cc: forum@abinit.org
  • Subject: Re: [abinit-forum] More help needed with screening calculation
  • Date: Thu, 10 Jun 2004 09:51:26 -0600


On Wednesday, June 9, 2004, at 12:55 PM, Valerio Olevano wrote:
however in the abinit log file of the calculation
generating your KSS file, you should find something like
Shells found:
number of shell number of G vectors cut-off energy


Found it. Here's the analogous section:
number of shell number of G vectors cut-off energy
1 1 0.000
2 2 0.265
3 3 0.265
4 4 0.870
5 5 0.870
6 6 0.870
7 7 0.870
8 8 0.870
9 9 0.870
10 10 1.061
11 11 1.061
(lots more output deleted...)
Am I doing something wrong?

sorry, I know already very well that to make other people
use a code, we should write books of manuals, but
you can imagine we haven't the time.


No apologies necessary. I really enjoy using the code!

R.





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