Dear all,
In the past, I knew that keyword "geometry" and its subkeyworkd " frequencies "
were used to calculate frequecies in ADF. Then can I use them to calculate a crystal's IR
spectrum in BAND? If can, who can be kind to show me an example input file ? Thanks.
Best regards,
M.X. Zhang
zmx_at_ms.fjirsm.ac.cn
Received on 2003-04-29 05:00:24
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