[Wien] ASK

Da Gao dagao at mtu.edu
Mon Mar 7 17:01:09 CET 2005


Dear WIEN2k users,

When I am running the SP-SO calculations there are always some errors and
the calculations stop.

I checked the errors with the command: more *errors and get the following:
::::::::::::::
dndstart.error
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::::::::::::::
dnlapw1.error
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::::::::::::::
dnlapw2.error
::::::::::::::
::::::::::::::
dnlcore.error
::::::::::::::
::::::::::::::
dstart.error
::::::::::::::
::::::::::::::
lapw0.error
::::::::::::::
::::::::::::::
lapwso.error
::::::::::::::
::::::::::::::
mixer.error
::::::::::::::
::::::::::::::
updstart.error
::::::::::::::
::::::::::::::
uplapw1.error
::::::::::::::
 'SELECT' - no energy limits found for L= 0
 'SELECT' - E-bottom -200.00000   E-top    2.61000
::::::::::::::
uplapw2.error
::::::::::::::
::::::::::::::
uplcore.error
::::::::::::::

Does anybody has same experience? what's the reason for those errors in
file uplapw1.error ? and how to fix it?

Thanks a lot for your help!

Da







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