[Wien] case.scfdmup': No such file or directory
Dr. K. C. Bhamu
kcbhamu85 at gmail.com
Wed Dec 28 15:04:08 CET 2016
Thank You Prof. Marks
I was worrying and wasted much time.
Now, I can proceed for the calculation.
Sincerely
------------------------------------------------
Dr. K. C. Bhamu
(UGC-Dr. D. S. Kothari Postdoc Fellow)
Department of Physics
Goa University, Goa-403 206
India
Mob. No. +91-9975238952
On Wed, Dec 28, 2016 at 7:29 PM, Laurence Marks <L-marks at northwestern.edu>
wrote:
> I am pretty certain this is not a real error. For runsp_c only one spin is
> needed, the other does not matter as it is the same.
>
> ---
> Professor Laurence Marks
> "Research is to see what everybody else has seen, and to think what nobody
> else has thought", Albert Szent-Gyorgi
> http://www.numis.northwestern.edu
> Corrosion in 4D http://MURI4D.numis.northwestern.edu
> Partner of the CFW 100% gender equity project, www.cfw.org/100-percent
> Co-Editor, Acta Cryst A
>
>
> On Dec 28, 2016 07:49, "Dr. K. C. Bhamu" <kcbhamu85 at gmail.com> wrote:
>
> Dear Users
> When I am running a CuInO2 case.
>
>
> I finished runsp_c_lapw without any problem (with -sp switch), then I
> included case.indm and case.inorb in the pwd and initialized the mbj case.
>
> I am getting the following error;
> Previously I was not getting in Wien2k_14.
>
> I am enclosing here struct file.
>
> kcbhamu at Lenovo-B570:~/test_CuInO2/3mbj_u65$ runsp_c_lapw -orb -cc 0.0001
> -ec 0.0005
> hup: Command not found.
> LAPW0 END
> LAPW0 END
> LAPW1 END
> LAPW2 END
> *cp: cannot stat '3mbj_u65.scfdmup': No such file or directory*
> CORE END
> CORE END
> MIXER END
> MIXER END
> in cycle 2 ETEST: 0 CTEST: 0
> hup: Command not found.
> LAPW0 END
> LAPW0 END
> ORB END
> ORB END
> LAPW1 END
> LAPW2 END
> cp: cannot stat '3mbj_u65.scfdmup': No such file or directory
>
>
> Sincerely
> Bhamu
>
>
>
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