[Wien] What is the error in nn?
panzhijun2002 at sjtu.edu.cn
panzhijun2002 at sjtu.edu.cn
Wed Nov 5 13:25:31 CET 2003
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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