[Wien] a question about using 'mini' procedure

[Javad Hashemifar]

Hello,
For my cases I am using this command:

min_lapw -I -j "runsp_lapw -p -I -cc 0.001 -fc 1.0 -p -in1new 4 -i 100"

It should be noted that I am using the latest version of Wien2k (Wien2k_04).
I hope it helps you
Regards.
Javad Hashemifar

> 
> 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):
> 
> >   (min_lapw) options: -j runsp_lapw -NI -fc 0.5 -i 40
> >>> (min_lapw) option 0.5 does not exist -> exit
> >   (min_lapw) options: -j runsp_lapw -NI -fc 1.0 -i 40
> >>> (min_lapw) option 1.0 does not exist -> exit
> >   (min_lapw) options: -i 50 -j ./runsp_lapw -fc 0.5 -p -NI
> >>> (min_lapw) option -p does not exist -> exit
> 
> In all cases the job crashes in a few seconds after start.
> 
> Could anybody please tell me what the right command notation should be?
> Should it use 'mini': 
> 
> mini -j ``runsp_lapw -NI -fc 0.5 -i 40'' or 'min_lapw':
> 
> min_lapw -j './runsp_lapw -fc 0.5 -p -NI' ? Should one use " or ' when
> righting the command?


=====
Javad Hashemifar
-------------------------------------------------------------------------------------------------------
Ph.D. student                     
Phone : ++98-311-391 3700
Address : Physics Department, Isfahan University of Technology, Isfahan, Iran
E-mail:  hashemifar at ph.iut.ac.ir
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