<div>Dear all,</div><div>I am trying to use the semiempirical method PM6 to relax the atomic structure of Zinc-based MOF-74 (metal organic framework). The structure fell apart after about 100 steps. It seems that PM6 has the parameters for d-orbital. Not sure if I did sth wrong. The input files are attached. Thanks a lot for help.</div><div>Binquan<br></div>
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