[Wien] read statement cannot be completed

[Peter Blaha]

Your energy file contains only some energy-parameters and the
header of the first k-point, but no eigenvalues.

a) Check case.output1. Are all the eigenvalues for all k-points listed ?

b) The last line tells me, that you are using NO local orbitals ???:
0.500000000000E+00 0.500000000000E+00 0.500000000000E+00         1  6896     0  1.0
Did you modify the default in1c file ?

c) NFS problem, disk-space,... ?  Try to repeat the run_lapw command and see if it happens again.

d) Are you sure you want to run this without any symmetry ? Is this necessary ?
    You are running non-spinpolarized ??

wien-bounces at zeus.theochem.tuwien.ac.at schrieb:
> 
> ------------------------------------------------------------------------
> 
> Betreff:
> [Wien] read statement cannot be completed
> Von:
> "Ludwig, Christian" <ludwigc at uni-mainz.de>
> Datum:
> Wed, 16 Jul 2008 13:45:47 +0200
> An:
> "wien at zeus.theochem.tuwien.ac.at" <wien at zeus.theochem.tuwien.ac.at>
> 
> An:
> "wien at zeus.theochem.tuwien.ac.at" <wien at zeus.theochem.tuwien.ac.at>
> 
> 
> Hello,
> 
> I am running Wien2k_08.2 (Release 21.4.2008) under SLES 10 on an IBM p590. I attached the struct file I am using, a calculation with 128 non-equivalent atomes.
> 
> No problems with initialisation, but in the first SCF-cycle lapw1 seems to write an incomplete case.energy (attached). I compared it to other energy-files and it is shorter. The errormessage I get is
> 
> error: command lapw2c lapw2.def failed            in the dayfile and
> "fermi_tmp_.F", line 507: 1525-001 The READ statement on the file case.energy cannot be completed because the end of the file was reached. The program will stop.                  in the STDOUT.
> 
> Calculations with fewer atoms run without trouble. What could be the reason for this?
> 
> Kind regards,
> Christian

-- 

                                       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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