[Pw_forum] pwscf question

Myeong.Lee at asu.edu Myeong.Lee at asu.edu
Thu Feb 3 06:06:03 CET 2005

Dear Sir,

I used PWSCF for several molecules, and for some molecules I got both positive 
and negative values of imaginary k.
So, I wonder if imaginary k can have negative value depending on the property 
of the molecule or if I did something wrong. (My guess is that if the band 
edge appears at k=pi/a, it has negative imaginary k.)
I really appreciate your time.


Myeong Lee.

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