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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100209/c64a2535/attachment.htm
