Yambo Community Forum

Dear Mitra,

you can use separately. While GTermKind performs very well and it is suggested, XTermKind is discouraged as in many case you won't gain much performance.
So:
GTermKind =BG and XTermKind=none,

is legitimate and suggested.

Best,
Daniele

Dear Daniele,

I have two questions about convergence tests:

1) I did the convergence tests and the GW calculations for a 2D material using the Dojo quasipotentials, now I want to do these calculations again using the new quasipotentials of the ONCV. Do I have to do all the convergence tests again from the beginning?
2) To perform GW calculations for members of a family, such as VCl2&VI2, should convergence tests be performed for each separately, or can the same convergence parameters obtained for one member be used for the rest of the family?

Thanks & Regards ,
Mitra Helmi

Dear Mitra,

1) They could be similar, but some tests I think is needed, in particular if they have different valence electrons (semi-core etc.).
A side note: Dojo uses non linear core corrections. Yambo is able to treat them activating the flag Usenlcc, but some problems can arise as nlcc are not considered e.g. in the Fock term, this is exactly the same issue why pseudo with nlcc are not suggested for hybrid functional in QE. So, making the long story short I would go for psp without nlcc as for instance ONCV sg15

2) The electronic structure differs, so separate tests are needed.

Best,

Daniele