[Wien] What is the error in nn?

[Jorissen Kevin]

????
Don't start twenty different threads just to ask the same question over and over again !!!
Have you at least tried to accept the new struct file and see what it looks like?
And if you can't solve it yourself, then send the struct file to the ML so at least we can help you. 
 
Kevin.
 

	-----Oorspronkelijk bericht----- 
	Van: panzhijun2002 at sjtu.edu.cn [mailto:panzhijun2002 at sjtu.edu.cn] 
	Verzonden: wo 11/5/2003 1:25 
	Aan: wien at zeus.theochem.tuwien.ac.at 
	CC: 
	Onderwerp: [Wien] What is the error in nn?
	
	

	Hi,all:
	   After "x nn" for a supercell,the errors appear.The errors are as follows:
	 
	 Commandline: x nn
	Program input is: "2 "
	
	  please specify nn-bondlength factor: (usually=2)
	
	    ATOM  1  Co         ATOM 16  Al       
	 RMT(  1)=2.00000 AND RMT( 16)=1.80000
	 SUMS TO 3.80000  LT.  NN-DIST= 4.31423
	
	    ATOM  2  Co         ATOM 15  Si       
	 RMT(  2)=2.00000 AND RMT( 15)=1.80000
	 SUMS TO 3.80000  LT.  NN-DIST= 4.31423
	
	    ATOM  3  Co         ATOM 14  Si       
	 RMT(  3)=2.00000 AND RMT( 14)=1.80000
	 SUMS TO 3.80000  LT.  NN-DIST= 4.31423
	
	    ATOM  4  Co         ATOM 13  Si       
	 RMT(  4)=2.00000 AND RMT( 13)=1.80000
	 SUMS TO 3.80000  LT.  NN-DIST= 4.31423
	
	    ATOM  5  Co         ATOM 12  Si       
	 RMT(  5)=2.00000 AND RMT( 12)=1.80000
	 SUMS TO 3.80000  LT.  NN-DIST= 4.31423
	
	    ATOM  6  Co         ATOM 11  Si       
	 RMT(  6)=2.00000 AND RMT( 11)=1.80000
	 SUMS TO 3.80000  LT.  NN-DIST= 4.31423
	
	    ATOM  7  Co         ATOM 10  Si       
	 RMT(  7)=2.00000 AND RMT( 10)=1.80000
	 SUMS TO 3.80000  LT.  NN-DIST= 4.31423
	
	    ATOM  8  Co         ATOM  9  Si       
	 RMT(  8)=2.00000 AND RMT(  9)=1.80000
	 SUMS TO 3.80000  LT.  NN-DIST= 4.31423
	
	    ATOM  9  Si         ATOM  8  Co       
	 RMT(  9)=1.80000 AND RMT(  8)=2.00000
	 SUMS TO 3.80000  LT.  NN-DIST= 4.31423
	
	    ATOM 10  Si         ATOM  7  Co       
	 RMT( 10)=1.80000 AND RMT(  7)=2.00000
	 SUMS TO 3.80000  LT.  NN-DIST= 4.31423
	
	    ATOM 11  Si         ATOM  6  Co       
	 RMT( 11)=1.80000 AND RMT(  6)=2.00000
	 SUMS TO 3.80000  LT.  NN-DIST= 4.31423
	
	    ATOM 12  Si         ATOM  5  Co       
	 RMT( 12)=1.80000 AND RMT(  5)=2.00000
	 SUMS TO 3.80000  LT.  NN-DIST= 4.31423
	
	    ATOM 13  Si         ATOM  4  Co       
	 RMT( 13)=1.80000 AND RMT(  4)=2.00000
	 SUMS TO 3.80000  LT.  NN-DIST= 4.31423
	
	    ATOM 14  Si         ATOM  3  Co       
	 RMT( 14)=1.80000 AND RMT(  3)=2.00000
	 SUMS TO 3.80000  LT.  NN-DIST= 4.31423
	
	    ATOM 15  Si         ATOM  2  Co       
	 RMT( 15)=1.80000 AND RMT(  2)=2.00000
	 SUMS TO 3.80000  LT.  NN-DIST= 4.31423
	
	    ATOM 16  Al         ATOM  1  Co       
	 RMT( 16)=1.80000 AND RMT(  1)=2.00000
	 SUMS TO 3.80000  LT.  NN-DIST= 4.31423
	 ERROR: Mult not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: Mult not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: Mult not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: Mult not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: Mult not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: Mult not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: Mult not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: Mult not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: Mult not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: Mult not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: Mult not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: Mult not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: Mult not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: Mult not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: Mult not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: Mult not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	 ERROR: ityp not equal. PLEASE CHECK outputnn-file
	FORTRAN STOP NN created a new CASE.STRUCT_NN FILE
	0.440u 0.000s 0:00.44 100.0%    0+0k 0+0io 97pf+0w
	
	
	 How to solve the problem?Please help me.Thank you.
	
	  

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