[Wien] Invalid atomic configuration in lstart

[Saeid Jalali]

Hello,
  This shows that your case.inst is not generated correctly in consistent with your case.struct.

Shu Miao <shu at caltech.edu> wrote:  Hello all
I am running a small calculation about MgO. When I execute lstart with
default setting, it shows "invalid atomic configuration". The
case.outputst file shows:
***********

                    WARNING: specified Element not in daRHFS

     NUMBER OF ITERATIONS 350

     PRECISON OF ENERGIES 5.00E-07

                  WAVEFUNCTION 1.00E-06

                  POTENTIAL 1.00E-06

 INTEGRATION WITH 961 POINTS STARTING AT 0.0012/12 AND INCREMENT  0.0126

     ORBITAL      OCCUPATION     TRIAL ENERGIES
****************

I try the TiC example and get same problem. No threads about this in the
mailing list. I think there must be some configuration problems on my
side but have no idea what they are. Please advise.
Thank you

Shu Miao
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Sincerely yours,
S. Jalali.
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Saeid Jalali Asadabadi,
Department of Physics, Faculty of Science,
University of Isfahan (UI), Hezar Gerib Avenue,
81744 Isfahan, Iran.
Phones:
Dep. of Phys.  :+98-0311-793 2435
Office                          :+98-0311-793 2430
Fax No.           :+98-0311-793 2409
E-mail             :s_jalali_a at yahoo.com
www                :http://www.ui.ac.ir
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