From 7f5c55d081a8886538aee9b31ccb2e90dd3b8788 Mon Sep 17 00:00:00 2001 From: Thomas Applencourt Date: Fri, 8 Jan 2016 17:34:38 +0100 Subject: [PATCH] Updated Tutorial (markdown) --- Tutorial.md | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/Tutorial.md b/Tutorial.md index 1206197..2d7f953 100644 --- a/Tutorial.md +++ b/Tutorial.md @@ -48,8 +48,9 @@ You can see a review of the EZFIO file & all the option available for all the bi #Run the SCF and Full-CI calculations First, create the canonical MOs by running an SCF calculation:: - +``` qp_run SCF hcn.ezfio +``` The expected SCF energy is -92.8832967.