[Wien] actual value of RKmax

[Jorissen Kevin]

actual value, of course.
 
Kevin.
 

	-----Oorspronkelijk bericht----- 
	Van: Javad Hashemifar [mailto:s_javad at yahoo.com] 
	Verzonden: do 4/8/2004 11:00 
	Aan: wien at zeus.theochem.tuwien.ac.at 
	CC: 
	Onderwerp: [Wien] actual value of RKmax
	
	

	Dear Wien Users,
	I have a question about the meaning of "Actual RKmax"
	It is clear that the total energy of two similar systems can be compared if
	they were obtained using the same RKmax, however it is not clear that input
	value of RKmax (in case.in1) should be the same or the Actual value of RKmax
	(parameter :RKM in the scf file).
	Any comments will be appreciated.
	
	Best regards,
	Javad Hashemifar
	
	=====
	-------------------------------------------------------------------------------
	Javad Hashemifar                                      phone : ++49-30-8413 4804
	Permanent : Physics Department, Isfahan University of Technology, Isfahan, Iran
	Current : Fritz-Haber-Institut der MPG, Faradayweg 4-6, D-14195 Berlin, Germany
	e-mails:  hashemi at fhi-berlin.mpg.de          &          hashemifar at ph.iut.ac.ir
	-------------------------------------------------------------------------------
	
	__________________________________
	Do you Yahoo!?
	Yahoo! Small Business $15K Web Design Giveaway
	http://promotions.yahoo.com/design_giveaway/
	
	_______________________________________________
	Wien mailing list
	Wien at zeus.theochem.tuwien.ac.at
	http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
	
	

-------------- next part --------------
A non-text attachment was scrubbed...
Name: not available
Type: application/ms-tnef
Size: 4914 bytes
Desc: not available
Url : http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20040408/e16af706/attachment.bin