[Wien] read statement cannot be completed

Peter Blaha pblaha at theochem.tuwien.ac.at
Mon Jul 21 14:56:09 CEST 2008


> a) In the case.output1 I see no difference to any other output1 file. I have attached it. Btw, for now I am only using 1 k-point.
You MUST see a difference !
All other output1 files should have a list of eigenvalues for each k-point.
But your output1 file contains only timing infos, but no eigenvalues.

Make sure your case.in1c file is correct (energy window in last line!)

Try to increase the NUME parameter





> b) I did not modify case.in1c and I have no idea why it uses no local orbitals.
> 

> Things that I have tried include:
> increase NMATMAX to 20000 in case it was to low for that many atoms. Did not help.
> calculate a simple Al lattice with many atoms. Still running, but up until now I got no error message.
> calculate with symmetry. Still running and in the long run I want to do it without.
> 

-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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