[Wien] lapw2 message

[Jorissen Kevin]

Dear Griselda,
 
I can't tell you what to do - I just want to warn you that afm-calculations are not the 'cleanest' and most well tested part of the code.
It's quite possible that the error here is something stupid - I remember some 100 atoms issues when I did afm last summer, but I reported those to the ML and assume they were fixed.
You see quite precisely where the code crashed; try to debug it - probably, fixing a format statement will help you.  And let us know ;-).
If you can't do that, send some useful files to the ML so someone can investigate your calculation.
 
Kevin.
 

	-----Oorspronkelijk bericht----- 
	Van: Griselda Garcia [mailto:ggarcia at fis.puc.cl] 
	Verzonden: ma 3/22/2004 8:38 
	Aan: wien at zeus.theochem.tuwien.ac.at 
	CC: 
	Onderwerp: [Wien] lapw2 message
	
	

	Dear WIEN users,
	
	I am getting the following error in a Fe afm calculation (the program
	does not stop):
	
	FORTRAN STOP LAPW0 END
	FORTRAN STOP LAPW1 END
	FORTRAN STOP LAPW2 END
	
	Input/Output Error 148: Invalid character
	
	In Procedure: main program
	At Line: 365
	
	Statement: Formatted READ
	Unit: Internal File
	Record Number: 1
	
	Current I/O Buffer:
	
	:GMA : POTENTIAL AND CHARGE CUT-OFF 14.00 Ry**.5
	!
	
	End of diagnostics
	
	FORTRAN STOP CORE END
	FORTRAN STOP CORE END
	FORTRAN STOP MIXER END
	in cycle 5 ETEST: 2.7098960000000000 CTEST: .8187655
	
	
	Could you advice me how may I fix it?
	
	Thanks in advance!
	
	Griselda
	
	
	
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