[Pw_forum] vc-relax analysis doubt
lorenzo.paulatto at impmc.upmc.fr
Thu Aug 31 12:19:01 CEST 2017
On 31/08/17 11:58, Ricardo Afonso wrote:
> it does not seem that anyone came across the fact
> that after a few 'bfgs' cycles the limit of 'scf' cycles is reached.
I don't know what you are talking about, I don't know by heart all the
error messages in pw.x, and I'm not going to read all the code until I
find one that may match your description.
Why don't you help us, sending a copy of the output?
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 442 79822 / skype: paulatz
mail: 23-24/423 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
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