[ase-users] How to do Diffusion of gold atom on Al(100) surface using QE (Quantum Espresso) calculator

Md Mahabul Islam mhblslm59 at gmail.com
Tue Nov 7 14:56:11 CET 2017


Dear all, I have installed latest ASE in my desktop but unable to run the
diffusion example given in the link (
https://wiki.fysik.dtu.dk/ase/tutorials/constraints/diffusion.html) using
QE calculator.

Any input or example regarding this will be highly appreciated.

Thank you all,
*Md Mahabul Islam*
*PhD Candidate*

*Department of Physics,*

*Indian Institute of Technology Madras,Chennai-600036, India*
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