[Wien] The -it switch (Wien2k_07.3)

David Holec dh331 at cam.ac.uk
Fri Aug 17 15:36:34 CEST 2007


Hello everyone,

I'm trying the iterative diagonalization started by the switch -it. After
the initialization I run 
  run_lapw -cc 0.001 -p -it
The first cycle finishes OK. However, after lapw0 of the second cycle I am
asked for password. What is this about? I have no idea where this comes
from. If I run it without the -it switch, everything seems to work ok (at
least no question about password). This is the output I'm getting in the
terminal:

>run_lapw -cc 0.001 -p -it
 LAPW0 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
LAPW2 - FERMI; weighs written
 LAPW2 END
 LAPW2 END
 LAPW2 END
 SUMPARA END
 SUMPARA END
 CORE  END
 MIXER END
ec cc and fc_conv 1 0 1
in cycle 2    ETEST: 0   CTEST: 0
 LAPW0 END
Password:

All the best,
David

__________________________________________________

David Holec               
Department of Materials Science & Metallurgy
University of Cambridge
Pembroke Street
CB2 3QZ, U.K.   

Tel: +44 (0) 1223 334404
Email: dh331 at cam.ac.uk
__________________________________________________







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