[QE-users] A question about SCF and Optimization initial guess

lisenzhibodao at 163.com lisenzhibodao at 163.com
Sat Nov 21 05:06:07 CET 2020


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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