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Question

Posted: Tue Jul 22, 2014 7:43 pm
by samaneh
Hi there
Would you please tell me if we set the parameter
GfnQPdb="none" what is the data in o.bands-sp1file?
are they KS energies without quasi particle corrections?
one more question
when I use some pseudo potentials,
the MAXGvec that is presented with the command yambo -i -V RL
is changed in yambo.in file by itself?
Thanks
S. Ataei, University of Tehran, Iran

Re: Question

Posted: Tue Jul 22, 2014 11:39 pm
by Daniele Varsano
Dear Smaneh,
GfnQPdb="none" what is the data in o.bands-sp1file?
are they KS energies without quasi particle corrections?
Yes
the MAXGvec that is presented with the command yambo -i -V RL
is changed in yambo.in file by itself?
The MaxGvecs, by default is the max number of the Gvector in the wavefunction according to the energy cutoff you used in the ground state calculation. You can lower this value if you have memory issues, but the precision of the calculation can be affected and has to be checked.

Best,
Daniele