[Wien] strange time using -it switch

Yongsheng Zhang zhang at fhi-berlin.mpg.de
Thu Jan 17 11:02:06 CET 2008


Yes, I also notice that. I download the SRC package, and they are no
difference to my installed one. I definitely have the vec2old_lapw file.

The funny thing is: In the run_lapw file, the 297th line, it is
    vec2old_lapw $para >> $dayfile
With it, no case.vector_old* are written in the case.dayfile.
However, if I change the line to
    vec2old_lapw >> $dayfile
case.vector_old* can be writtern into the case.dayfile, and -it switch
works fine.

But I don't know if I did the right thing. Do you think the problem is
come from the computer system, or k-point parallel?

Thanks and regards,
Zhang

Peter Blaha wrote:
> I do not see a statement in your dayfile, that the vectors are copied to
> vector.old (just after lapw0 in the second iteration)
>
> Did you update all *_lapw scripts, do you have vec2old_lapw ??
>
> Yongsheng Zhang schrieb:
>   
>> Dear all,
>>     
>


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