[QE-users] Solving problem of split atoms and Wanniers in Quantum Espresso

Iman Ahmadabadi imanahmadabadi75 at gmail.com
Wed Feb 19 07:27:55 CET 2020


Dear Quantum Espresso Users,

I would like to return the atoms and Wanniers which are split by periodic
boundary condition to their proper position to have whole molecules
together. Is it possible via Quantum Espresso without using VMD?

Best regards,
Iman
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