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<DIV><FONT face=Arial size=2>Dear Wien2k Users,</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>I'm trying to perform a spin-polarized
calculation - full relaxation calculation - of a magnetite
slab with hexagonal symmetry using the 'mini' procedure. This job is
run at the parallelized computers. I tried this optimization trice
with different command options (the following are results from the
:log-file):</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>> (min_lapw) options: -j runsp_lapw
-NI -fc 0.5 -i 40<BR>>>> (min_lapw) option 0.5 does not exist ->
exit<BR>> (min_lapw) options: -j runsp_lapw -NI -fc 1.0 -i
40<BR>>>> (min_lapw) option 1.0 does not exist ->
exit<BR>> (min_lapw) options: -i 50 -j ./runsp_lapw -fc 0.5 -p
-NI<BR>>>> (min_lapw) option -p does not exist ->
exit<BR></FONT></DIV>
<DIV><FONT face=Arial size=2>In all cases the job crashes in a few seconds
after start.</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Could anybody please tell me what the right command
notation should be? Should it use 'mini': </FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>mini -j ``runsp_lapw -NI -fc 0.5 -i 40'' or
'min_lapw':</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>min_lapw -j './runsp_lapw -fc 0.5 -p -NI' ? Should
one use " or ' when righting the command?</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Thank you very much in advance.</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>With best regards,</FONT></DIV>
<DIV><FONT face=Arial size=2>Aleksey.</FONT></DIV>
<DIV><FONT face=Arial
size=2>--------------------------------------------------------------------------------<BR>
Dr. Aleksey Kuznetsov phone: +49 (30)
8413-4828<BR>
e-mail: <A
href="mailto:kuznetso@fhi-berlin.mpg.de">kuznetso@fhi-berlin.mpg.de</A>
<BR> Fritz-Haber-Institut
<BR> Faradayweg 4-6<BR> D-14195 Berlin
(Dahlem)<BR> Germany
<BR>----------------------key:1-0.0735-11600-23.05:fhi--------------------<BR></DIV></FONT></BODY></HTML>