How can I draw the IR spectrum density with mol format file?

[farid taherkhani]

Dear S Ling,

Thanks so much for your consideration , comment and your help. I really 
appreciate your time.

All the best,

Farid


On Tuesday, June 23, 2015 at 11:09:11 AM UTC-7, farid taherkhani wrote:
>
> Dear All,
>
>  I have one vibrational frequency "mol" file which is calculated with Cp2k 
> package. I have been used Molden program for opening IR frequency in mol 
> format. I am able to animate all modes and see all frequencies however I am 
> not able to draw IR spectrum density. How can I draw the IR spectrum 
> density  with mol  format file? I have tried with Jmol program as well. 
> Similar story problem can be  found for IR spectrum density. Is there any 
> software or codes to visualize the IR spectrum?  I will appreciate if I get 
> your  help me to visualize IR spectrum density for mol format file.
>
> All the best,
>
> Farid
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20150623/7bf09f2c/attachment.htm>