[Pw_forum] Problem in QE3.0

[Giovanni Cantele]

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
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Giovanni Cantele, PhD
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