Energy Range in GW

[luca.montana]

Dear Daniele,

I give in my input file of gw calculation for energy range :

Code: Select all

% EnRngeXd
 0.00000 | 30.00000 | eV    # [Xd] Energy range
%

but i see for the energy range in the output file containing quasi particle energies, these values :

Code: Select all

# | % EnRngeXd
# |   2.76702 | 37.71854 | eV    # [Xd] Energy range
# | %

How is this discrepancy to explain ?

Bests
Luca

[Daniele Varsano]

Dear Luca,
this is because, in the last releases of Yambo EnRngeXd is automatically set to the interval of minimum and maximum electron-hole energy difference.
So if you want change it, you need to change the number of included unoccupied bands. It has been set automatically as it is a parameter less to converge.
Best,
Daniele