[Wien] SCF stop!

[Yushan Wang]

hi, many thanks for your interest in my problem.
the IT associate in my appartemnt told me that the reason is the wien code 
is 64 bits, but the compiler installed in my computer is 32 bits. so the 
lapw1 will crash for large matrix.

yushan

On Wed, 16 Mar 2005, Lyudmila Dobysheva wrote:

>> attached are the .struct and .in1 and in2.
>> they ran very well in my previous computer with wien2k_03. but they always
>> failed in my new computer with wien2k_05. the scf stops at lapw1 of the
>> first cycle.
>
> I used your files with WIEN2k_04.9 (Release 21/09/2004), everything was o'k.
> Maybe somebody will try wien2k_05, but nevertheless: (again) more information
> needed.
> What say files case.dayfile, case.output1, lapw1.error?
> Try also "x lapw1" directly in the terminal, not in the batch mode. In my
> computer this sometimes gives more information on the error.
>
> Best wishes
>  Lyudmila Dobysheva
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