[Wien] NWTMIN error

Leonardo Pisani pisani at itp.uni-frankfurt.de
Fri Jan 16 17:27:02 CET 2004


Dear Wien Users,

I am running  geometry minimizion runs for different lattice parameters and 
some of them stops with following error message


 'NWTMIN' -   stop  after  maxstp  in mini-run 
 'NWTMIN' -   stp.le.tolx 
 'NWTMIN' -    tolx =        0.000500                                         
 
 'NWTMIN' -    stp  =        0.000207                                         
 
 'NWTMIN' -   possible reason: muffin-tin radii too large
 'NWTMIN' -    stpmax =        1.000000                                       
 

Does anyone know what stp could be?

The increment (step) of the minimazion variable is for the last 2 iterations 
is:

0.62648-0.62585 =0.00063



Thank you a lot.
Leonardo Pisani.




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