Dear friends:(adsbygoogle = window.adsbygoogle || []).push({});

anyone who used the materials studio software before?

these days, i used the software to do the geometry optimization of a compound's structure.

it has already taken about 30hours to do the optimization job till now and it has not finished yet. i am really anxious and don't know when it will finish the job.

there is a chart called "Dmol3 optimization convergence" while processing the optimization calculation. In the convergence chart, there are 3 lines, energy change, max force, and max displacement. do you know how to read the chart? and does it yield the information when the calculation will be finished?

thanks a lot! and hope you can solve the problem for me!

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# [Materials studio]geometry optimization

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