[Wien] if: Expression Syntax(-eece)

yxl@email.jlu.edu.cn yxl at email.jlu.edu.cn
Sun Jul 29 14:05:49 CEST 2007


Dear users,
  I want to do calculatins about  eece, but encountered a question, i searched the mailing-list,
but there is nothing about it.
  My case.ineece file is 
-9.0  2       emin natom
17 1 2         iatom nlorb lorb
HYBR          HYBR / EECE mode
0.25          amount of exact exchange

In userguide it says the flag -eece can creat the additional files, so I didn't set those files.
When i run: runsp_lapw -eece -p -cc 0.001 -ec 0.0001
LAPW0 END
 LAPW1 END

real	20m11.367s
user	20m7.012s
sys	0m3.198s
 LAPW1 END

real	20m21.566s
user	20m16.167s
sys	0m3.293s
 LAPW1 END

real	19m57.349s
user	19m53.252s
sys	0m3.013s
 LAPW1 END

real	20m2.947s
user	19m58.390s
sys	0m3.547s
LAPW2 - FERMI; weighs written
 LAPW2 END
 LAPW2 END
 SUMPARA END
 SUMPARA END
LAPW2 - FERMI; weighs written
 LAPW2 END
 LAPW2 END
 SUMPARA END
 SUMPARA END
 CORE  END
 CORE  END
if: Expression Syntax.

All the error files are empty. When i run x mixer, there is no error too, and the scf can continue, 
but in the next cycle the same happys:  if: Expression Syntax.

If i run: runeece_lapw -p -cc 0.001 -ec 0.0001 directly, the error 'if: Expression Syntax' appears 
immediately.
I don't know how to explain and handle it, any suggestions will be appreciated.
Thank you in advance.
                                              yours sincerely,
                                                hongxia


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