Hello everyone!
I am a new user of QE. I just make a SCF job and It’s done successfully. Then I
want to use the wavefunction generate by the SCF job as the initial guess for
the 1st step of Optimization job( called vc-relax in there ). But I don’t know
how to achieve. I tried to start a Optimization job which position is the same
as the SCF job, but it’s useless.
So how can I make the SCF wavefunction as the initial guess for Optimization?
Thanks
for your help!
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