comp-chem/NWChem
1
0
Fork 0
mirror of https://github.com/nwchemgit/nwchem.git synced 2026-07-28 14:15:30 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions 1

Add in a note about the different EPREC for DFT.

Browse source
This commit is contained in:
Theresa Windus 1999-09-29 17:37:03 +00:00
parent 7fc5be6494
commit ba79635fa0
1 changed files with 2 additions and 1 deletions
Download patch file Download diff file Expand all files Collapse all files

3
doc/user/driver.tex
View file

@ -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}