The ABINIT Users Mailing List ( CLOSED )

[Xavier Gonze <gonze@pcpm.ucl.ac.be>]

Dear Joydeep,

joydeep@jncasr.ac.in wrote:
> Dear users,
>
> I am using the version 4.1.4.
> I would like to know the name of the 
> program that writes the wave function files in the output.

The routine outwf.f drives the output, in ordinary runs (you
have something different when using the "newsp" utility).
Referring to version 4.1.5 (the latest of 4.1 series) :
in outwf.f, line 212, open the file
            line 242, write the header
then, there is a big loop on spin-polarizations and k points,
 lines 258 and 262 to lines 497 and 498, in which there is a large
 section for parallelism (gathering the data on one proc)
 The writing of each block is performed between lines 442 and 468,
 calling the subroutine rwwf (read/write of wavefunctions).

Xavier