The ABINIT Users Mailing List ( CLOSED )

[Steven Homolya <steven.homolya@sci.monash.edu.au>]

Jian ZHOU wrote:
> I think it is said in th FAQ:
>
> - Tips to use ABINIT : Bandstructure: why my output includes fewer
> k-points than I expected ?
> The default value is limited to 50. Set prtvol as 10 (and prteig as 1
> for v.4.3.3, v.4.4.x and the newer versions). (e-mail).

Thanks for the advice Jian. It would seem the documentation for v.4.4.4 is
lagging and inconsistent with behaviour. Replacing the incorrect documentation
with the simple phrase "See FAQ" could save users like me a lot of grief and
time. (over 700 CPU hours gone in the wind :( so far)

--- variable description 1:
prteig
Default is 0 or 1 ?????.
(Not yet active)
---
--- variable description 2:
prtvol
prtvol=0, 1: ... if iscf=-2, the eigenvalues for all the k points are
printed anyway.
prtvol=2 => there is no such limit in the whole main output file.
---

prtvol=0,1 do not work, even though iscf=-2. prtvol=2 does not work either,
even though doco says it should. And prteig does nothing acc. to description.

I'll try once more with prtvol=10.

Thanks again for your help Jian.

Regards,
Steve


--
Steven Homolya
School of Physics
Monash University, VIC 3800
Australia
Tel: +61 3 9905 3646
Fax: +61 3 9905 3637