maybe I'm missing something, but although it is sure that the executables for band structure calculations have changed a lot since 3.0, I cannot understand why this should have "worsened" the smoothness of band structure calculations.
Which executable are you speaking about? plotband.x? Could you provide any example of the same band structure computed with two different versions of the code and which appear to be "with different smoothness"? Giovanni On Nov 16, 2012, at 11:34 AM, zafar rasheed wrote: > > Dear Paolo Giannozzi > > 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. > > > make all > test -d bin || mkdir bin > if test -d iotk ; then \ > ( cd iotk ; if test "make" = "" ; then make TLDEPS= libiotk.a ; \ > else make TLDEPS= libiotk.a ; fi ) ; fi > make[1]: Entering directory `/home/zafar/espresso-3.0/iotk' > cd src ; make libiotk.a > make[2]: Entering directory `/home/zafar/espresso-3.0/iotk/src' > cpp -P -traditional -D__LINUX -D__FFTW -D__USE_INTERNAL_FFTW -I../include > iotk_base.f90 -o iotk_base.F90 > In file included from iotk_base.spp:21: > ../include/iotk_config.h:58: error: #error unknown Linux compiler, please add > to iotk_config.h > make[2]: *** [iotk_base.o] Error 1 > make[2]: Leaving directory `/home/zafar/espresso-3.0/iotk/src' > make[1]: *** [libiotk.a] Error 2 > make[1]: Leaving directory `/home/zafar/espresso-3.0/iotk' > make: *** [libiotk] Error 2 > > > > > > Muhammad Zafar > PhD Scholar > Department of Physics > The Islamia University of Bahawalpur,Pakistan > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- **** PLEASE NOTICE THE NEW E-MAIL ADDRESS: giovanni.cantele at spin.cnr.it Giovanni Cantele, PhD CNR-SPIN c/o Dipartimento di Scienze Fisiche Universita' di Napoli "Federico II" Complesso Universitario M. S. Angelo - Ed. 6 Via Cintia, I-80126, Napoli, Italy Phone: +39 081 676910 Skype contact: giocan74 ResearcherID: http://www.researcherid.com/rid/A-1951-2009 Web page: http://people.na.infn.it/~cantele http://www.nanomat.unina.it -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121116/29a8d57d/attachment.html
