NWChem isn't running properly
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Forum Vet
10:24:33 AM PST - Tue, Feb 3rd 2015
"#" sign in title
Khun Wasut
The
"#"
in the title string is causing the NWChem input file to ignore the rest of the input file.
How to fix:
Either replace "#" with something else or put the backslash "\" sign just before it, e.g.
"HCl+4H2O SIP Form MP2/cc-pVTZ Optimization Run \#1"