Dear yambo users,
I would like to ask you whether there is a way to convert data from a large PW case (many atoms) to yambo database? Is it reasonable if one would consider just a specific energy window reasonably close to the Fermi level?
Best regards,
more effective importing for large case?
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more effective importing for large case?
Martin Gmitra, PhD
University of Regensburg, Germany
University of Regensburg, Germany
- myrta gruning
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Re: more effective importing for large case?
Hallo
there is no way to select just a part of the wf from the PW calculations.
To speed up the process you can try to
use the fragmentation (-S option)
enable the hdf5 and large file NETCDF support (though it is a long time I am not using those configuring options. In case, the netcdf lib should be compiled with those options. The linking process may be quite nasty
); see ./configure --help for the exact options
Best,
there is no way to select just a part of the wf from the PW calculations.
To speed up the process you can try to
use the fragmentation (-S option)
enable the hdf5 and large file NETCDF support (though it is a long time I am not using those configuring options. In case, the netcdf lib should be compiled with those options. The linking process may be quite nasty

Best,
Dr Myrta Grüning
School of Mathematics and Physics
Queen's University Belfast - Northern Ireland
http://www.researcherid.com/rid/B-1515-2009
School of Mathematics and Physics
Queen's University Belfast - Northern Ireland
http://www.researcherid.com/rid/B-1515-2009