[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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