[Pw_forum] Hi, I would like to know how to use the restart_mode='restart'?

[feng zhu]

"restart" is to do calculation using the things already done.
So it will read the geometry, charge, wfc, ... from the previous
calculation.

If there is no wfc file and you set "restart", you must set also
"startingwfc='atomic' " .

I think it is ok to "restart" even if not scf, but maybe this is not very
safe.


2007/11/23, r95222066 at ntu.edu.tw <r95222066 at ntu.edu.tw>:
>
> Hello,
>     I have read the user guide and the INPUT_PW doc file.I wolud like
> to ask how to use
> the restart_mode='restart'. Do I need to save the wfc file? what is
> the process if I have
> not scf yet,and I want to scf again by used the restart_mode="restart"?
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> Pw_forum at pwscf.org
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>



-- 
------------------
Zhu feng
Department of Physics,
Anhui University, Hefei, China
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