[Wien] about the variables in lcore

georg at chem.au.dk georg at chem.au.dk
Mon Aug 9 11:34:45 CEST 2004


They are probably the large and small component

 Georg

Quoting Zhou Taojun <tjzhou at bohr.physics.hku.hk>:

> Dear All,
> 
> When I read the code of lcore program, I found there are two variables DP
> and DQ, which seem to describe the wavefunction of core states. And there
> is a comment about them in the file resld.f, but I don't understand. My 
> question is whether they are the real and image components of wavefunction
> respectively. Thank you.
> 
> Taojun
> 
> 
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 


-- 
Georg Madsen
Department of Chemistry
Aarhus University
DK-8000 Århus C
Denmark
tlf (+45) 89423885




More information about the Wien mailing list