[Pw_forum] Running Spin-Polarized Calculations from Non Spin-polarized Calculations

Wilbert James Futalan wilbert.james.futalan at gmail.com
Sat Apr 29 05:53:12 CEST 2017


Hi!

As I was searching for improving computational speed in non spin polarized
calculations, I came across a link that says it can "perform a
self-consistent non spin-polarized calculation and then use this to start
the spin-polarized calculation" (
https://www2.fkf.mpg.de/andersen/LMTODOC/node170.html)

I understand that this is for a different software, but is it possible to
do the same for Quantum ESPRESSO? Can I do a non spin-polarized calculation
and then use the result as some sort of an "initial guess" for a
spin-polarized calculation?

Thank you.

Jim F.
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