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

[Paolo Giannozzi]

In principle, it could be done, but it requires some coding

Paolo

On Sat, Apr 29, 2017 at 5:53 AM, Wilbert James Futalan
<wilbert.james.futalan at gmail.com> wrote:
> 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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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222