[Pw_forum] how to print G+k vectors file in ASCII format

[Andrea Ferretti]

Hi Xirainbow,

"qexml_v3.1.1.f90", "qexml_v3.1.f90" are old versions of the 
library kept there for consistencies with previous versions of QE.
Please refer to "~espresso/PP/qexml.f90", which must be the most 
up-to-date version of it. Note that back-compatibility with
older versions of QE is supported.

In terms of the usage of the library, you can have a look at a simple 
example at

http://web.mit.edu/~ferretti/www/Test_QEXML.tgz

instructions to compile, run and check the test are given inside the 
tarball.

Developers: if you think that such an example can be useful to be 
discributed with the library, feel free to use it and include it.

Andrea


> Dear Andrea：I have grepped qexml_in in WanT sources.
> And it is found in "qexml_v3.1.1.f90", "qexml_v3.1.f90" and "qexml.f90" under "\want-2.1.1\libs"
> I also notice that the "qexml.f90" code is written by you.
> As I did not use WanT, I do not know how to find examples to use "~espresso/PP/qexml.f90".
> Would you mind giving me more information？
> 
> On Tue, Feb 9, 2010 at 7:27 PM, Andrea Ferretti <ferretti at mit.edu> wrote:
>       Instead, I think the easiest way to go is to use the qexml library
>       (distributed with QE in ~espresso/PP/qexml.f90) which is exactly meant to
>       provide tools to read (and in principles also write) QE datafiles...
>
>       The library must be initialized specifying the output directory, prefix,
>       and few other informations, and then it directly provides routines to read
>       all the piece of data you need.
>       Some examples about how to use it are given in the WanT code
>       (www.wannier-transport.org); just grep qexml_ in the sources.
>
>       hope it helps
>       Andrea
> -- 
> 
>  
> ____________________________________
> Hui Wang
> School of physics, Nankai University, Tianjin, China
> 
>

-- 
Andrea Ferretti
Oxford University, Department of Materials
Parks Road, Oxford OX1 3PH, UK
Tel: +44 (0)1865 612796;  Skype: andrea_ferretti
URL: http://quasiamore.mit.edu

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