[Pw_forum] (no subject)
shoutian sun
sunshoutian168 at yahoo.com.cn
Mon Oct 5 03:44:39 CEST 2009
Dear all,
I want to calculate IR spectra(without external electronic field), should I have to set: tefield = .TRUE. ?
Or could anyone tell me how to use cp.x to calculate IR? And which paprameters should I have to
care about?
Thank you in advance,
SUN ST
___________________________________________________________
好玩贺卡等你发,邮箱贺卡全新上线!
http://card.mail.cn.yahoo.com/
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20091005/f987eabb/attachment.htm
More information about the Pw_forum
mailing list