From ba79635fa057535cbf6a2f9325faaf1fe969d44f Mon Sep 17 00:00:00 2001 From: Theresa Windus Date: Wed, 29 Sep 1999 17:37:03 +0000 Subject: [PATCH] Add in a note about the different EPREC for DFT. --- doc/user/driver.tex | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/doc/user/driver.tex b/doc/user/driver.tex index 1ebc7db8dd..d8e2359c2f 100644 --- a/doc/user/driver.tex +++ b/doc/user/driver.tex @@ -96,7 +96,8 @@ In performing a line search the optimizer must know the precision of the energy (this has nothing to do with convergence criteria). The default value of 1e-7 should be adjusted if less, or more, precision -is available. +is available. Note that the default EPREC for DFT +calculations is 5e-6 instead of 1e-7. \section{Controlling the step length}