One can use restart_mode='restart' together with startingpot='atomic'
and startingwfc='atomic+random'... This will trick the code to use the
positions but starting with the standard starting potential and wave
functions. But be careful: the code also reads in other variables such
as electric field or similar... Give it a try :)
Thomas
Zitat von Paolo Giannozzi <[email protected]>:
There is a variable "ion_positions" that could be used for the purpose you
mention, but this is not currently implemented
Paolo
On Sat, Dec 15, 2018 at 10:05 PM Shenli Zhang <[email protected]> wrote:
Dear QE users,
I'm wondering if there is a way to just import atom's positions from a
previous run without rewriting the charge density and wavefunction
information at the same time?
Thank you so much!
--
Shenli Zhang
Graduate Student of Materials Science
University of California, Davis
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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
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