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Re: Geometry Optimization of lonsdaleite phases of si

From: ilyes.hamdi@fst.rnu.tn
To: forum@abinit.org
Subject: Re: Geometry Optimization of lonsdaleite phases of si
Date: Mon, 10 Nov 2003 10:15:29 +0100

hello Zhenhua Zeng
simply increase the variable dilatmx to the corresponding value indicated by
your log file(dilatmx must >1.77).
note that for better convergence, it might be better to increase the
variables that controle the stopping of the calculation .
good luck.

Geometry Optimization of lonsdaleite phases of si, myid520, 11/09/2003
- <Possible follow-up(s)>
- Re: Geometry Optimization of lonsdaleite phases of si, ilyes . hamdi, 11/10/2003