[Wien] Problem of mini

yulihua-wh at sohu.com yulihua-wh at sohu.com
Mon Jul 26 05:13:13 CEST 2004


Dear WIEN2k users,

I got the error in mini.error file:
  'FUNC' -  stop_ifnc_gt_ipo
and the mini stop. I don't know what this mean.
I use command line:
min -NI -i 999 -j 'run_lapw -I -fc 0.05 -i 88'

In case.inM:
NEWT 0.1           #(NOSE, NEWT, BFGS, MOLD, tolf (a4,f5.2))
0.3 0.3 0.3 0.8    # Atom1   (NOSE, MOLD:Masse, delta t, T, nose-frequency)
0.3 0.3 0.3 0.8    # Atom2   (NEWT: 1,2,3:delta, 4:eta(1=MOLD))
0.3 0.3 0.3 0.8    # Atom3   (BFGS, NEWT: [ 1 || 2 || 3 ] = 0 constraint)

 Sincerely,
 Yu Lihua




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