[Wien] lapw1 error

[Santhy Jaiker]

Dear user,
SCF stops at lapw1 of the first or second cycle for larger jobs, but it always 
runs well for small jobs.  I am running a calculation for a unitcell having 12 atoms.
Fe2Ti system space group=194 RMT=2.0 for Fe and Ti Gmax=14 RKmax=9 k.point=5000

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1. I am using standalone workstation without quene.
2. Memory allocated for me is 2GB
3. Wien2k_08.2 version
4. no detailed information in the error file, just says" error in lapw1"
5. In dayfile, it mentions lapw1.def failed
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I had gone through the mailing list.

1.  I checked the memory space allocation
    It was already set to unlimted
2.  I tried with setting OMP-NUM-THREAD=1

Still i am facing the same problem.

Any suggestion will be appreciated

Thanks in advance

Regards,
santhy jaiker






Regards,
  Santhy Jaiker
   
  Research Scholar
  Materials Thermodynamics Lab
  Department of Metallurgical and Materials Engineering
  Indian Institute of Technology Madras
  Chennai - 600 036
  India
  Tel: 91-044-22575763
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