ABINIT Discussion Forums

Dear abinit friends,

I am facing the warning when using PAW2-LDA, XML PP downloaded from the abinit website.

WARNING -
The matrix seems to have high value(s) !
( 1 components have a value greater than 50.0).
It can cause instabilities during SCF convergence.
Action: you should check your atomic dataset (psp file)
and look for "high" projector functions...

Do you have any suggestion to remove this annoying warning? I found many users had encountered such a problem.

Thanks a lot!

Dear yzk,
On which atoms did you get that?
In any case, if your calculation converge without too much troubles then you can continue with it.
All the best,
Eric

Dear Eric,

Thanks very much. Now I turn to NCpp.

yzk