[Wien] lapw1.error in atomic energy calculation

[lin zhou]

Dear all:

    When I caculate the atomic energy with FLAPW, there is error information in Lapw1as follow:

'NN' - overlapping spheres
 'NN' - RMT( 1)=2.30000 AND RMT( 0)=0.00000                                
 'NN' - SUMS TO 2.30000 GT NNN-DIST= 0.00000  

    

   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:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
  48      NUMBER OF SYMMETRY OPERATIONS   

 

 How to deal with this? Any comments are welcome.Thanks in advance.

 

Best regareds                       




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