[Wien] Print plane wave coefficients flom LAPW1 with -p option

Oleg Rubel orubel at lakeheadu.ca
Wed Jan 8 18:49:04 CET 2014


Dear Elias,

thank you so much for the help.

> I attach a little program for converting the ‘vector’ file to plain text,
> maybe this can help.  This was just a quick hack (derived from
> ‘join_vectorfiles’), but it worked for me.

I tried to compile the FORTRAN code you attached. It has the include statement

  use util,      only: line_count
  use structmod, only: struct, struct_read
  use const,     only: BUFSZ

I was able to find 'util.f' in the w2w package, but not 'structmod'
and 'const'. Would you please send me those too.

> As for reading ‘vector’ in Python, are you using f2py for that?  I guess you
> could take (the read-in part of) ‘join_vectorfiles’ and wrap that with f2py

I did not use f2py, but I will definitely try it out :)


Thank you once again
Oleg


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