<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">maybe I'm missing something, but although it is sure that the executables for band structure calculations have changed a lot since 3.0,<div>I cannot understand why this should have "worsened" the smoothness of band structure calculations.</div><div><br></div><div>Which executable are you speaking about? plotband.x? Could you provide any example of the same band structure computed with</div><div>two different versions of the code and which appear to be "with different smoothness"?</div><div><br></div><div>Giovanni<br><div><br></div><div><br><div><div>On Nov 16, 2012, at 11:34 AM, zafar rasheed wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><table cellspacing="0" cellpadding="0" border="0"><tbody><tr><td valign="top" style="font: inherit;"><br>Dear Paolo Giannozzi<br><br>Thanx for the reply. I am using this version because it gives very smooth band structure as compared to any other version. Itried it but it gives following error.<br><br><br> make all<br>test -d bin || mkdir bin<br>if test -d iotk ; then \<br> ( cd iotk ; if test "make" = "" ; then make TLDEPS= libiotk.a ; \<br> else make TLDEPS= libiotk.a ; fi ) ; fi<br>make[1]: Entering directory `/home/zafar/espresso-3.0/iotk'<br>cd src ; make libiotk.a<br>make[2]: Entering directory `/home/zafar/espresso-3.0/iotk/src'<br>cpp -P -traditional -D__LINUX -D__FFTW -D__USE_INTERNAL_FFTW -I../include iotk_base.f90 -o iotk_base.F90 <br>In file included from iotk_base.spp:21:<br>../include/iotk_config.h:58: error: #error unknown Linux compiler,
please add to iotk_config.h<br>make[2]: *** [iotk_base.o] Error 1<br>make[2]: Leaving directory `/home/zafar/espresso-3.0/iotk/src'<br>make[1]: *** [libiotk.a] Error 2<br>make[1]: Leaving directory `/home/zafar/espresso-3.0/iotk'<br>make: *** [libiotk] Error 2<br><br><br><br><br><br>Muhammad Zafar<br>
PhD Scholar<br>
Department of Physics<br>
The Islamia University of Bahawalpur,Pakistan</td></tr></tbody></table>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>http://pwscf.org/mailman/listinfo/pw_forum</blockquote></div><br><div>
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