The ABINIT Users Mailing List ( CLOSED )

[Xavier Gonze <gonze@pcpm.ucl.ac.be>]

Dear Steven,

Yes, the update of the documentation was needed.
This has been fixed in v4.4.3, v4.3.4 and v4.2.5, all to come in a few weeks.

By the way, thanks for your recent numerous replies to the mailing list.

Xavier

Steven Homolya wrote:
> myid520@hotmail.com wrote:
>
> > default iscf is 5 which runs fast but not always reliable.
> > on the contrary, iscf=3 is safe but slow to converge.
>
> Thank you to Zhenhua Zeng for agreeing with my multiple posts on this 
> issue. The latest variable description still says the opposite:
>
> "The preferred option is 5, which is quite robust. The value 3 can be 
> faster, but sometimes the SCF iterations will not converge with iscf=3 !"
>
> This is incorrect! An update of the documentation is long overdue.
>
> The proper description of the variable iscf is important, and has been 
> overlooked for too long. I suggest changing the above quote from 
> varbas.html to the following or similar:
>
> "The default option is 5, which is a good compromise between speed and 
> reliability. The value 3 is safer but slower."
>
> S.H.