Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
Re^4: How to check atom sp-character from output file
indeed if you look for "MOLECULAR ORBITAL" string using the singular you end up where you say, but if you look for "MOLECULAR ORBITALS" string (plural) you arrive in the section I was telling you about. Please find attached in zip format input/output file proving this.
| ||This message contains the 158 kb attachment|
[ Example_1.zip ] Example input and output files.
Sun May 26 '13 10:45am
This message read 728 times