[Wien] way to confirm stable/transition structures

tasaka at affinity-science.com tasaka at affinity-science.com
Fri Oct 5 11:55:55 CEST 2012


Hello,

In MINI calculation, a relaxed structure is depend on initial structure
in general. so, sometimes it might arrive to the transition structure.
for example, please find the attached structure file.
for that case, how do we confirm the obtained structure whether
transition or stable structure, especially in wien2k-code?

sorry if it's a silly question, but any information would be appreciated.

With best regards,
Tomo
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