The ABINIT Users Mailing List ( CLOSED )

[ilyes.hamdi@fst.rnu.tn]

Dear abinit users

I'm a PHD student and a beginner user of abinit.
I'm working with 4.1.3 version, while trying RF calculation (phonon and 
electric perturbation)on some semiconductors with d electrons i'got this 
warning(more than 700 times):
cgwf3 : warning 
New trial energy at line (some line)=
               is higher than former.

it seems that this routine (cgwf3.f) is used for updating the single 
wavefunction, i've found lines in the routine that generate this warning.

I want to know if any users have this warning, if it alter the calcultion 
accuracy and what can i do to avoid such a problem?

PS:if more details are needed i can send my input file.

thanks for your help.