[Wien] error in wien2k

413119008 at nitt.edu 413119008 at nitt.edu
Mon Apr 12 15:40:02 CEST 2021


Sir,

I am using Wien2k19.2 in my workstation with ubuntu  os and when i try  
to generate the structure by generating template and giving the  
lattice parameters manually and then run initialiastion, i am getting  
the following error


next is setrmt
  next is nn
STOP NN ENDS
  specify nn-bondlength factor: (usually=2) [and optionally dlimit,  
dstmax (about 1.d-5, 20)]
  DSTMAX:   34.677261360000003
  iix,iiy,iiz           5           5           5   31.670405000000002  
        31.670405000000002        156.20388000000000



UNPHYSICAL RROR: Your sphere sizes are unphysically small !!!!
        Most likely your structure is WRONG and will lead to a crash later
        You should probably stop and recheck your struct file

ERROR: automatic initialization stopped due to problems above.

  also when i try to import the structure file in cif format the  
system is not accepting.so i request you to help me in this regard

with regards


  Narayanan Namoodiri


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