Geometry/gradient orientation

From NWChem

You are viewing a single post from the thread title above
Jump to: navigation, search

Click here for full thread
Clicked A Few Times
Threads 8
Posts 22
You can see more in details of printing the desired option in document/dplot or document/dft/keyword.

Ex. for printing final optimized geometry, you should add "xyz" keyword into dplot block, says
dplot
xyz
end

Rangsiman


Who's here now Members 0 Guests 0 Bots/Crawler 0


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC