[Wien] Pseudo-charge

[Laurence Marks]

To help people better understand the role of the pseudo-charge in
convergence, I am attaching a small script PC_lapw which you can add to
$WIENROOT  or ~/bin (then do chmod a+x $WIENROOT/PC_lapw). It accepts "-up"
and "-dn" and for large numbers of iterations it may be useful to do
"PC_lapw | tail", and you might need to do "dos2unix PC_lapw"

N.B., this only applies to the 18.1 release.

-- 
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu ; Corrosion in 4D: MURI4D.numis.northwestern.edu
Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent
Co-Editor, Acta Cryst A
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20190131/69cc1fcf/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: PC_lapw
Type: application/octet-stream
Size: 780 bytes
Desc: not available
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20190131/69cc1fcf/attachment.obj>