[Wien] Error in wien2wannier for spin orbit coupling case

[Elias Assmann]

Dear Niraj,

On 07/02/2016 02:57 AM, Niraj Aryal wrote:
> Thank you Elias. The newer version of w2w ran without giving any
> errors for test case. I will do more tests and let you know.

Good to hear, and thank you for reporting the compilation error.

> For this, I used the executables from the old SRC_trig directory and
> they work fine with the new w2w executable.

This should pose no problems, except that there have been some
bugfixes in write_win_backend.

> write_win_backend.f(292): error #6460: This is not a field name that
> is defined in the encompassing structure.

L. 292 is the empty line after

    do i=1,inwf%Nproj
       print fmt_centers, centers(i)
    end do

I can only assume that the error refers to inwf%Nproj.  This is a bit
odd because this and other fields of the same structure are used
throughout that file.  Are there any other errors?  What compiler and
version are you using?

Also, can you make sure that write_inwf_backend.f is compiled against
the new util_w2w.F?  For instance, compile it in the wien2wannier
source directory rather than the Wien2k one (“cd
wien2wannier/SRC_trig; make write_win_backend”).


	Elias

-- 
Elias Assmann
Institute of Theoretical and Computational Physics
TU Graz                   <https://itp.tugraz.at/>


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