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Re: Re: [abinit-forum] total energy calculation

From: occupierliu@yahoo.com.cn
To: forum@abinit.org
Subject: Re: Re: [abinit-forum] total energy calculation
Date: Thu, 4 Aug 2005 01:12:24 +0200

Thank you for your suggestions.

I reduce the initial bond length to 1Bohr and increase it in step of 0.1Bohr
to 3.8Bohr. The calculation succeed. So this means the initial value is very
important for abinis?

Re: Re: [abinit-forum] total energy calculation, occupierliu, 08/04/2005