[Wien] SURVEY + basis set size for oxygen crystal

[Stefaan Cottenier]

[note: short survey included -- you're kindly asked to fill it out]


The combined answers by Marks/Blaha/Pask were very instructive. Thanks! 
It made me aware of a misconception I have been carrying with me for 
years: RKMax is more than just a warped way of presenting K_max. Taking 
K_max as the quality indicator for a basis set size is plane wave code 
inspired, and not transferable to (L)APW.

Well, this misconception hasn't caused big damage for me in the past. It 
illustrates the self-correcting mechanisms in science that the first 
time I really need it, I'm pointed to the correct explanation :-).

However, it resurfaces this latent worry: how much knowledge about such 
subtleties (or basics?) has disappeared between the pioneering stage 
(code developers) and the present stage where thousands of users 
routinely apply a code?

I have a hypothesis about that, but will not tell it here yet. Instead, 
let me take advantage of the momentum of this discussion to collect some 
data. We're all scientists, so we love data, don't we? Therefore, I 
would like to invite all of you to fill out the following simple 
two-question survey:

http://www.surveymonkey.com/s/8TR69FK

The survey will be online for 7 days, starting today. The result + 
interpretation will be reported to this mailing list. Everyone's answer 
is useful, also if you did not follow the RKMax discussion. If there 
would be >100 answers, then the result of this survey can lead to useful 
conclusions.

Thanks,
Stefaan