Yambo Community Forum

Hello,

Once I created the SAVE folder, I used yambo -D command to view the information inside the folders. It gave this:
[RD./SAVE//ns.db1]--------------------------------------------------------------
Bands : 345
K-points : 5
G-vectors : 1667175 [RL space]
Components : 208436 [wavefunctions]
Symmetries : 2 [spatial+T-reV]
Spinor components : 1
Spin polarizations : 1
Temperature : 0.025852 [eV]
Electrons : 576.0000
WF G-vectors : 219809
Max atoms/species : 42
No. of atom species : 3
Exact exchange fraction in XC : 0.000000
Exact exchange screening in XC : 0.000000
Magnetic symmetries : no
- S/N 004518 ---------------------------------------------- v.05.00.04 r.19595 -
[RD./SAVE//ns.wf]---------------------------------------------------------------
Fragmentation : yes
Bands in each block : 345
Blocks : 1
- S/N 004518 ---------------------------------------------- v.05.00.04 r.19595 -
[RD./SAVE//ns.kb_pp_pwscf]------------------------------------------------------
Fragmentation : yes
- S/N 004518 ---------------------------------------------- v.05.00.04 r.19595 -

What does "Max atoms/species" mean? I have 72 atoms in the system with three atomic species. But It says 42. Could you please clarify this? Here I attach the two input files. I use Quantum espresso 7.0 and Yambo 5.0.4 version.

Thank you

Dear Niranji,

this is the max number of atoms of the same species, in your input this is the oxygen (42 atoms).

Best,
Daniele

Dear Daniele,

Thanks so much for the quick reply.