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
PC_lapw
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