[Wien] about file.inst

[Jorissen Kevin]

Hello,
don't bother about siteconfig.  Instgen is just a script, not a 'real' (fortran) program, and it doesn't allocate any memory.
 
If you want to, just send the struct-file to me or to the mailing list, and I'll have a look at it.
 
Kevin.
 

	-----Oorspronkelijk bericht-----
	Van: cygeng77 at yahoo.com.cn [mailto:cygeng77 at yahoo.com.cn] 
	Verzonden: vrijdag 12 september 2003 9:45
	Aan: wien at zeus.theochem.tuwien.ac.at
	Onderwerp: RE: [Wien] about file.inst
	
	

		Dear Kevin:

		        Thanks for your reply. There is 26 inequivalent atom in my system, but the *.inst only gives 21( it seems the maximum number). I don't know how to increase it. Maybe I should change something by siteconfig? While in the userguide it is said in wien2k all important arrays are allocated dynamically. Then what i should do?

		regards 

	
	
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