Hi,
thank you for the detailed explanations.
this is always the case which are well known although often omitted in
simple textbooks. I am 99.8% certain that MSR1a will also not be
trapped in a saddle point although there is currently no analytic
proof of this.
I agreed, it was a help to
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
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