The ABINIT Users Mailing List ( CLOSED )

[<ilukacevic@fizika.unios.hr>]

Dear Cheng Yingchun,

maybe You should try to modify Your initial acells to be closer to the relaxed
ones at the wanted pressure. Could be that they are too far from relaxed ones,
and abinit delivers such a message.
I think that in few tries You will succeed. If You reach a few more Broyden
steps and abinit again stops, try the initial acells as the ones from the last
Broyden step.
This is from the experience only.

Cheers

Igor Lukacevic