[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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