[Wien] Error in Parallel LAPW2

[Jorissen Kevin]

Hi Sampyo,
P. Blaha's reply already showed you what to do ...  I just want to add that 0.1 is not that small for a mixing parameter.  There are systems which are impossible to converge without lowering it even further.
 
Kevin.
 

	-----Oorspronkelijk bericht----- 
	Van: Hong, SamPyo [mailto:likedew at phys.ksu.edu] 
	Verzonden: wo 3/17/2004 8:02 
	Aan: wien at zeus.theochem.tuwien.ac.at 
	CC: 
	Onderwerp: RE: [Wien] Error in Parallel LAPW2
	
	

	Small mistake: the mixing I'm using is 0.1, not 1.0 as shown below.
	
	Thanks,
	
	Sampyo
	> -----Original Message-----
	> From: wien-admin at zeus.theochem.tuwien.ac.at
	> [mailto:wien-admin at zeus.theochem.tuwien.ac.at] On Behalf Of
	> Hong, SamPyo
	> Sent: Wednesday, March 17, 2004 12:06 PM
	> To: wien at zeus.theochem.tuwien.ac.at
	> Subject: [Wien] Error in Parallel LAPW2
	>
	> ..........
	> ..........
	>
	> In fact, I'm already using small mixing parameter of 1.0.
	>
	> ..........
	>
	> Sampyo
	
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