[Pw_forum] PW91 bug in QE 4.3.2

[Derek Stewart]

Hi everyone,

I was reading through the items fixed in the new version of Quantum 
Espresso (5.0.x) and I came across the following line for the PW91 bug.

    * VERY NASTY bug: exchange-correlation keyword 'PW91' was 
incorrectly interpreted (PZ LDA instead of PW) in all 4.3.x versions

I assume this hasn't been corrected in the 4.3.x versions that are 
available on the web.  Also, is there anything in the output file that 
gives us a clue that this error occurs (other than doing a direct 
comparison with version 5).  It looks like the output file just prints 
the pseudopotential details read in from the pseudopotential file.

Thanks,

Derek



-- 
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Derek Stewart, Ph. D.
Senior Research Associate
http://sites.google.com/site/dft4nano/
250 Duffield Hall
Cornell Nanoscale Facility (CNF)
Ithaca, NY 14853
stewart (at) cnf.cornell.edu
(607) 255-2856