[Pw_forum] IR calculation

shoutian sun sunshoutian168 at yahoo.com.cn
Mon Oct 5 03:52:57 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
>



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