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

[Andrea Ferretti]

ops, it is a problem of the Makefile,

change the lines

$(espresso_home)/PP/qexml.o:
         cd $(espresso_home)/PP
         make qexml.o

into

$(espresso_home)/PP/qexml.o:
         cd $(espresso_home)/PP; make qexml.o

sorry for that,
Andrea

> Dear Andrea: I follow your first suggestion and try "~espresso/bin/iotk 
> convert  file.dat  file.xml".
> This method works smoothly. 
> And when I use "gedit" to open file.xml, I get data which are arranged in 
> columns and rows orderly.
> 
> However, when I tried to compile Test_QEXML, I failed.
> 1: I install QE-4.1.2 successfully.
> 2: I follow the README to change the QE directory in 
> makefile.(espresso_home=/home/raman/espresso-4.1.2)
> 3: I type "make all" in directory Test_QEXML. But  I got the following error 
> message:
> @~/PWscf-accessory/Test_QEXML>make all
> cd /home/raman/espresso-4.1.2/PP
> make qexml.o
> make[1]: Entering directory `/home/raman/PWscf-accessory/Test_QEXML'
> make[1]: *** No rule to make target `qexml.o'.  Stop.
> make[1]: Leaving directory `/home/raman/PWscf-accessory/Test_QEXML'
> make: *** [/home/raman/espresso-4.1.2/PP/qexml.o] Error 2
> 
> I am not familiar with fortran. I use Fedora10.
> Can you tell me how to deal with it?
> 
> Thanks in advance ：）
> 
> On Wed, Feb 10, 2010 at 9:55 PM, Andrea Ferretti <ferretti at mit.edu> wrote:
> 
>
>       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
> 
>  
> --
> ____________________________________
> 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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