The ABINIT Users Mailing List ( CLOSED )

["Aldo Humberto Romero" <aromero@qro.cinvestav.mx>]

It will be nice if you provide us with more information.
But as a first approximation, just increse the number of
steps (nstep), but of course, without knowning anything
else.. it is difficult to address your question. Next time,
include details of your system, if you are doing a
geometry optmization, wavefunctin optimization, etc. Did
you look at the end of the output? usually, Abinit is to clever that
advises you a step to follow

regards

-aldo.

-> Dear users,
-> in the warnings of out put file, I have a message 'wave function not
-> converged'.
-> what I can do please ?
->


-- 

Prof. Aldo Humberto Romero
CINVESTAV-Unidad Queretaro
Libramiento Norponiente 2000
CP 76230, Queretaro, QRO, Mexico
tel: 442 211 9909
fax: 442 211 9938

email: aromero@qro.cinvestav.mx
        aldorome@gmail.com
www: qro.cinvestav.mx/~aromero