ABINIT Discussion Forums

Dear Eric,

Thanks very much. Now I turn to NCpp.

yzk

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 data...