CORE_CORRECTION "magic numbers"

[Stanislav Avdoshenko]

Dear all,

I have faced to a problem of some "magic numbers" in the core_correction(CC,
- PL1 variables ) function. In attached you can find an example. In this
run, as you can see, is three different values of PL variable:  0.71, 0.72
and 0.73.  For 0.71 and 0.73 according to my  outputs I had 5 electrons on
net, but for 0.72 I had 4.  what kind of the re-normalization it might be,
if for 0.7200001 I have 5 electrons as well? I have tried to find an answer
in Google.net, but  without much results, I hope that community might be
able to help me.

thanks in advance, Stas
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20100613/01d31ef8/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: mn.inp
Type: application/octet-stream
Size: 1118 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20100613/01d31ef8/attachment.obj>