Yes! you are right! that was the problem, this make things clearer now. I think that to avoid that problem is better to set up the cell by hand, because different system will have different automatic cells, so mesh cutoff can be different for them, making things quite messy.

Thank you for your help!!!!

I.K. Ortega

"Alexander Vozny" <[email protected]> escribió:

Any way the main problem is that G is not converging to some value, is
jumping up and down

It can be that the mesh cutoff changes when you change your unit cell and this causes the jumps.
Check the values in output
InitMesh: Mesh cutoff (required, used)





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 Dr. Ismael Kenneth Ortega Colomer
 postdoc researcher
 Atmospheric Sciences Division
 Dynamicum 1D16b
 University of Helsinki
 PL 48
 00014
 ResearcherID: http://www.researcherid.com/rid/A-7930-2008
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