How can I draw the IR spectrum density with mol format file?
faridta... at gmail.com
Tue Jun 23 18:09:11 UTC 2015
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,
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