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[abinit-forum] What's the meaning of nstep in a non-self-consistent calculation?


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  • From: <6671011@163.com>
  • To: forum@abinit.org
  • Subject: [abinit-forum] What's the meaning of nstep in a non-self-consistent calculation?
  • Date: Tue, 5 May 2009 19:11:11 +0200 (CEST)

Dear friends,

According to the helps, nstep means “Number of self-consistent field
STEPS”. In my opinion, it should be meaningful only in a self-consistent
calculation.

But, several tests use nstep in non-self-consistent calculations (such as
toptics_1.in), and this parameter does affect the results.

I am a little confused. Can someone explain it to me? Thanks.

Sincerely,
Gunagfu Luo



  • [abinit-forum] What's the meaning of nstep in a non-self-consistent calculation?, 6671011, 05/05/2009

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