Yambo Community Forum

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,

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,