CCL:G: Spin density

[João Henriques <joao.henriques.32353[*]gmail.com>]

 DearÂMoumita,

Electron density can be generated with gaussian and viewed with chemcraft. Type gfinput and gfprint in the gaussian route card. Specify the IOp and run the calculation. Then open the ouput in chemcraft and render it's molecular orbitals. You can select by hand which one(s) to view. Gaussian online manual will help you a lot with the IOp's. Rendering orbitals on chemcraft is prettyÂstraightforwardÂand you should find it yourself easily. If not contact me again.

Regards,

2010/8/19 wangzc]-[iccas.ac.cn <owner-chemistry%ccl.net>

Dear Moumita,

Â

ÂÂÂÂÂ Please use GV, read the chk or fchk file, and then results-surfaces

-----ååéä-----
åää: "Methai DC mdccompchem^_^gmail.com" <owner-chemistry%ccl.net>
åéæé: 2010å8æ19æ ææå
æää: "Wang, Zhe Chen " <wangzc%iccas.ac.cn>
æé:
äé: CCL: Spin density

Dear All,
ÂÂ I am new in the field of computational chemistry. So please help me in following regard: How to generate SPIN DENSITY PLOT? Is it possible to generate using Chemcraft? Or any different software is needed? What is the procedure?

Many thanks in advance.

Sincerely,
Moumita

--
JoÃo Henriques