Yambo Community Forum

Dear All
In my abinit caculation, my system has 10 electron and I set charge -2, so the real number electron should be 12,

however, when I run a2y and yambo -i, the system only recognize 10 electrons, so the HOMO position is wrong, is there any

ways to make yambo read the right HOMO position?

Thanks very much !

If you use -V all option you should be able to change by hand the number of electrons. Can you check if it works ?

Andrea

Dear Andrea;
Sorry but I didn't see that....

only I see is
===============================================================
#
# ooooo oooo .. ooo ooo ooooooooo. .oooo.
# `88. .8" .88. `88. .88 `88" `Y8b dP" `Yb
# `88. .8" .8"88. 888b d"88 88 888 88 88
# `88.8" .8" `88. 8 Y88. .P 88 88oooo888" 88 88
# `88" .88ooo888. 8 `888" 88 88 `88b 88 88
# 88 .8" `88. 8 Y 88 88 .88P `8b d8"
# o88o88o 888o8 88 o88bood8P" `Ybod8P"
#
# GPL Version 3.2.0 Revision 315
# http://www.yambo-code.org
#
setup # [R INI] Initialization
~
~
=============================================

After the setup. Run yambo once and, then, use another runlevel. Like
Andrea

Dear Andrea

Thanks for the help. The new version is OK,
but the yambo 3.2.0 rev.315 still cannot, any suggestion for the old version?

Thanks

Why do you want to use the old version ?

because for the new version I cannot find the rigid GW band gap shift in BSE caculation sector like

% KfnQP_E
1.340000 | 1.000000 | 1.000000 | # [EXTQP BSK BSS] E parameters (c/v)
%


BTW: what's the KfnQP_E sector in new version?

Thanks

If I compile the version that is available from the QE SVN repo and I do
I see the field
First field scissor (eV), second and tird stretching of conduction and valence states.

Andrea