Dear all,
 I am interested to find the bond order (Mayer or Wiberg type)  in a
molecule inside a crystal structure. Is it possible to do using Quantum
espresso? Any help is highly appreciated.
Thanking you.
Pratik
-------------- next part --------------
An HTML attachment was scrubbed...
URL: 
http://pwscf.org/pipermail/pw_forum/attachments/20140714/80395f53/attachment.html
 

Reply via email to