[QE-users] generate starting wave function at each md step pw.x

Nebgen, Benjamin Tyler bnebgen at lanl.gov
Tue Mar 19 16:55:22 CET 2019


Hello,

Is it possible to ignore the previous step's converged wave function and use the startingwfc algorithm at every step when doing QM-MD in pw.x? I have looked through the documentation and could not anything that looked like the correct option.

Thank you for your help,
Ben Nebgen
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