[Wien] Possible bug in SRC_lapw0/efg.f

Laurence Marks L-marks at northwestern.edu
Tue Nov 4 21:52:55 CET 2014


I am getting a sigsev in efg.f with the version on the web (today). I think
it is the trap for max/min values, so after


!...........DEFINE VXX,VYY,VZZ ACCORDING ABS( TENS)
            ABSMAX=-1.
            ABSMIN=1000000.

I added:
!
        JMAX=1
        ABSMAX=abs(TENS(1))
        JMIN=1
        ABSMIN=abs(TENS(1))

(I seem to remember this one from earlier).

-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
Corrosion in 4D: MURI4D.numis.northwestern.edu
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
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