[Wien] IR spectrum and NMR

[E.A.Moore]

For NMR you need CASTEP at the moment but I believe there are plans to add this capability to WIEN2k in the future.

Elaine A. Moore
Chemistry Department,
The Open University
________________________________
From: Ahmad Ranjbar [ranjbar at imr.edu]
Sent: 30 October 2010 11:55
To: A Mailing list for WIEN2k users
Subject: [Wien] IR spectrum and NMR

Dear WIEN2K user,

I am wondering if any body answer my question:
Is it possible to calculate IR spectrum and NMR using WIEN2K?

Best regards,




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