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Author Topic: Error in optimizing geometry  (Read 2988 times)

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Offline abhishek77492652

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Error in optimizing geometry
« on: October 1, 2017, 18:54 »
Hello sir,
I am calculating the interlayer diatance  between two graphene layer by using ATK-2014 version but the file is giving error.
Error is attached in photo
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Offline Jess Wellendorff

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Re: Error in optimizing geometry
« Reply #1 on: October 3, 2017, 08:31 »
Looks like a bug that was fixed in newer versions of ATK. Please supply the ATK Python script so that we can check and advise.
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