[QE-users] wavefunctions writing

[Ivo Batistic]

Thanks very much Pietro,

I have checked and
this indeed prevents wavefunctions writing in
the final stage, in prefix.save directory.

However, if one use disk_io='medium',
there are temporary files for wavefunction storage
in working directory,
prefix.wfcN
which at each step (k-point) grow bigger.

Is there any magic, like RETURN, to prevent
wavefuctions writing in these temporary files.

I would be very  grateful for this info.

Best regards

Ivo B.

Department of Physics
Faculty of Science, University of Zagreb


02. 12. 2019. u 11:18, Pietro Delugas je napisao/la:
> Hi Ivo
> 
> quick and dirty: just put a RETURN statement in Modules/io_base.f90  at 
> line 74 or there around and then recompile pw.x. Obviously once done 
> remember to remove it ;)
> 
> 
> for a more durable implementation one could add more modulation in 
> disk_io strings ...
> 
> hope it helps
> 
> regards - Pietro
> 
> On 02/12/19 11:03, Ivo Batistic wrote:
>> Hi to QE developers,
>>
>> Is is possible to disable wavefunctions writing
>> in nscf calculations.
>> for Fermi-surface calc, afterwards.
>>
>> (in QE-6.3 if it is version dependent)
>>
>> disk_io='none' is not an option, since
>> it does suppress also writing of the energies.
>>
>> I. Batistić
>>
>> Department of Physics
>> Faculty of Science, University of Zagreb
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