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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100211/504de06a/attachment.htm
