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[abinit-forum] warning about findmin

From: andika asyuda <venomdi2000@yahoo.com>
To: forum@abinit.org
Subject: [abinit-forum] warning about findmin
Date: Thu, 19 Feb 2009 22:28:41 +0800 (SGT)
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Good night abinit forum.

I want to ask about following warning I received when running abinit

---------------------------------------------------------------------------------------------------

findmin : WARNING -
The 2nd degree equation has no positive root (choice=4).

findmin : COMMENT -
Will continue, since the new total energy is lower
than the old. Take a larger step in the same direction.
line minimization, algorithm 4

----------------------------------------------------------------------------------------------------

I want to know more about that warning an how to fix my input file.
I am doing calculation about Fe2O3. Now, I am trying to find the correct parameter of ecutoff, so I intend to do several calculation with different ecutoff and acell parameter. In my calculation, I used ionmov with value 3.

Please share with me about this warning. Thank you so much. I attached my input file to this email.

With regard
Andika Asyuda

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[abinit-forum] warning about findmin, andika asyuda, 02/19/2009
- Re: [abinit-forum] warning about findmin, Anglade Pierre-Matthieu, 02/19/2009