[Wien] how to generate valid struct file in atomic energy calculation

[lin zhou]

Dear all:
   When I calculate the atomic energy with FLAPW, there is error information in Lapw1 as follow:
'NN' - overlapping spheres
 'NN' - RMT( 1)=2.30000 AND RMT( 0)=0.00000                                
 'NN' - SUMS TO 2.30000 GT NNN-DIST= 0.00000 
    I was told that my struct file is invalid. But I don't know how to generate valid struct file in atomic energy calculation.    
    My struct file is:

Title                                                                          
F   LATTICE,NONEQUIV.ATOMS:  1                                                 
! MODE OF CALC=RELA unit=bohr                                                    
 30.000000 30.000000 30.000000 90.000000 90.000000 90.000000                   
ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Ni         NPT=  781  R0=0.00005000 RMT=    2.3000   Z: 28.0                   
LOCAL ROT MATRIX:    1.00! 00000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
  48      NUMBER OF SYMMETRY OPERATIONS   

 
How to generate valid struct file in atomic energy calculation? Any comments are welcome. Thanks in advance.
 
Best regards  
  



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