[Wien] about mini

Jorissen Kevin Kevin.Jorissen at ua.ac.be
Fri Aug 8 15:13:24 CEST 2003


* Please Check The Output And Let Us Know What It Says*
eg., it might say : mini ends - forces are small.  (Check out our discussion about 'which forces does mini use' a few weeks ago, this may well be your problem, also).  It may have crashed...
 
Check case.outputM, case.scfM, mini.error, ...  Do grep FOR, FGL case.scf.
 
If you provide some more information, we can probably help you.  If you send an e-mail like this, we can only guess.
 
Kevin.
 

	-----Original Message----- 
	From: Li Yonghua [mailto:xuanmen at hotmail.com] 
	Sent: Fri 8/8/2003 4:06 AM 
	To: wien at zeus.theochem.tuwien.ac.at 
	Cc: 
	Subject: [Wien] about mini
	
	

	Dear Wien Users,

	When I run the mini, it only run one struct, then stoped, dont change the struct and go on.Who know the reason, and how to resolve it .

	Best wish!

	Yonghua Li
	
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