About MaxGvecs

[sdwang]

Dear All:
I am an new user of yambo.After I had finished scf and nscf of pwscf, I type >p2y, and then I type yambo -D -N, it appears:


[RD./SAVE//s.db1]-------------------------------------------
Bands : 18
K-points : 16
G-vectors [RL space]: 45927
Components [wavefunctions]: 5824
Symmetries [spatial+T-rev]: 2
Spinor components : 1
Spin polarizations : 1
Temperature [ev]: 0.000000
Electrons : 28.00000
WF G-vectors : 8021
Max atoms/species : 4
No. of atom species : 2
- S/N 006275 ---------------------------- v.03.02.01 r.448 -
[RD./SAVE//s.wf]--------------------------------------------
Bands in each block : 18
Blocks : 1
- S/N 006275 ---------------------------- v.03.02.01 r.448 -
My question is what is the MaxGvecs of the initi input ,is it "G-vectors 45927", or "Components [wavefunctions]: 5824", or "WF G-vectors : 8021". and what they mean,How can I choice the MaxGvecs from above???
Thanks!!
SDWang

[Conor Hogan]

It's the maximum amount of G-vector indices that you make known to Yambo for later calculations. You can usually reduce it from the default if the setup takes too long. In your case the default should not take long you so you can leave it as it is. The default number from pwscf is the number of G-vectors used to describe the charge density.
Before you ask the meaning of the other Gvecs, check the forum where they have been explained many times.

[sdwang]

Thanks!