gameix
Downloads
You can download the last update of wingam and concomitant files from the following archive:
wingam.zip: 07-02-2010 (0.85MB)
wingam_md5.txt (59 B)
ready for the new Gamess 25 Mar 2010 (R2)
It contains all necessary files except the binary WinGamess executable gamess.XX.exe and its Cygwin drivers. The Manual gives detailed advice about getting this and how to install and use Wingam. The manual is included in the archive.
|
New Output for MO's: exam02.inp (3-B-1 CH2,opt)
**** ALPHA SET ****
MO # Irrep Occ Eh eV
7 B2 0 0.8111 22.0712
6 A1 0 0.6694 18.2153 Lumo
-----------------------------------------
5 B1 1 -0.3410 -9.2791 Homo
4 A1 1 -0.3931 -10.6968
3 B2 1 -0.5318 -14.4710
2 A1 1 -0.8699 -23.6712
1 A1 1 -10.6088 -288.6803
**** BETA SET ****
MO # Irrep Occ Eh eV
7 B2 0 0.9002 24.4957
6 A1 0 0.7460 20.2997
5 B1 0 0.4021 10.9417
4 A1 0 0.3288 8.9471 Lumo
-----------------------------------------
3 B2 1 -0.4912 -13.3662 Homo
2 A1 1 -0.6892 -18.7541
1 A1 1 -10.5559 -287.2408
|