Hello
I want to know how to obtain/generate k points for band structures using
Gamess. It is good to locate HOMO & LUMO but what am I to look for
plotting a spaghetti plot in the output. Please suggest any other
method/program if any apart from using Gamess too.
regards imran
--- Begin Message ---
- Subject: [Fwd: W:k plots]
Please resend your mail to chemistry%a%ccl.net or select [CCL Subscribers] on the mail sending Web form. You sent your mail to administrator rather than subscribers' list Jan ---------------------------- Original Message ---------------------------- Subject: W:k plots > From: "Imran Predhanekar" <zmatrix%a%rediffmail.com> Date: Tue, April 4, 2006 10:30 am To: chemistry-request%a%ccl.net -------------------------------------------------------------------------- I want to know how to obtain/generate k points for band structures using Gamess. It is good to locate HOMO & LUMO but what am I to look for plotting a spaghetti plot in the output. Please suggest any other method/program if any apart from using Gamess too. Imran -- Computational Chemistry List Attn. Jan K. Labanowski Columbus, OH 43221 http://www.ccl.net E-mail: chemistry-request%a%ccl.net or ccl%a%ccl.net
--- End Message ---