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

farid taherkhani faridta... at gmail.com
Tue Jun 23 18:09:11 UTC 2015


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
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