[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!
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20201121/9552e38d/attachment.html>
More information about the users
mailing list