[Wien] WIEN2k_04.10

[Peter Blaha]

> (2) Following your suggestion, i.e., rm all the *scf* files, x dstart -c
> and run_lapw -p, as I expected that it was crashed again at lapw2 in just a
> few seconds.
> 
> (3) The same job (with the same input STRUCT file, the same initializtion
> procedures) ran successfully if the downloaded WIEN2k_04_executables were
> used while it was crashed when the WIEN2k_04_executables were produced on
> my machine as mentioned in my previous email. 

You need to compare the two calculations step by step.
x lapw0
x lapw1
x lapw2       and compare the output files for each step.

> (4) In the worse case that I could not make a workable
> WIEN2k_04_executables on my machine would you please compile the

Compile by removing all optimizations.

> WIEN2k_04.10 code with IDKP=7000 and email the WIEN2k_04_executables to me
> in an attached file, because some of my calculations need more that 5000

IDKP=7000 is used ONLY in kgen.

So compile kgen with the large parameter and copy kgen into the directory 
with the downloaded WIEN-executables (the version which works).

                                      P.Blaha
--------------------------------------------------------------------------
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/
--------------------------------------------------------------------------