[QE-users] Question on output

Pablo García Risueño garcia.risueno at gmail.com
Mon Nov 18 15:44:54 CET 2019


Dear Espresso community

I wanted to ask whether there is any information on sp3 and sp2 hybridized
C atoms or on which bonds are double in the output of QE (I guess that the
answer is 'no', but I wanted to be sure).

Thank you very much. With kind regards.

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Dr. Pablo García Risueño
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