[Wien] testerror: Error in Parallel LAPW2 (hao)

[Peter Blaha]

Most likely, the error is due to "ghostbands".
This can happen 
       since your scf-cycle has diverged (grep :DIS case.scf)
       your energy parameters are not well chosen and need to be changed
       your RMTs are not good,....

Look into case.output2up or into ./genc.helpup_1031 (this is atom 1, 
look for ****, to find out the l-value)
to find out what the problem is.
Eventually you have to change the E-parameters in case.in1

> Dear Users:
> 
>    Recently I ran runsp_lapw -p and got following error messages. 
> 
> LAPW2 - FERMI; weighs written
> 
> forrtl: severe (64): input conversion error, unit 1001, file
> ..../genc.helpup_1031
> 


                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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