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Author Topic: Pentacene  (Read 2510 times)

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Offline pun_tri

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Pentacene
« on: March 18, 2015, 11:31 »
Hi.
Can someone please tell me how to form the pentacene crystal as it is done in the metal-organic interface tutorial(http://quantumwise.com/documents/tutorials/latest/Au_Pentacene/index.html/chap.au111pc.1layer.html).
I am unable to reorient the crystal after downloading it from Crystallography Open Database to fit two molecules of pentacene in a single cell. Please help!
Thanks.
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Offline Umberto Martinez

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Re: Pentacene
« Reply #1 on: March 19, 2015, 00:14 »
It is indeed a bit tricky but you should be able to do it by following the steps reported in the tutorial.
see if the figures attached showing the whole process help you.
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