[Pw_forum] Error in bands.x

Manu Hegde mhegde at uwaterloo.ca
Mon Dec 23 04:27:20 CET 2013

Hello All,

I am getting error in bands.x. I have installed patch file as well. WHile
installing I have got this message, which means bug is still persists?. I
have attached both input and output file as well.

owner at ubuntu:/host/qexpress$ cd espresso-5.0.2
owner at ubuntu:/host/qexpress/espresso-5.0.2$ patch -p1 <
espresso-5.0.2-5.0.3.diffpatching file CPV/src/pseudopot_sub.f90
patching file Doc/release-notes
patching file Modules/read_upf_v2.f90
patching file Modules/write_upf_v2.f90
patching file PP/src/bands.f90
Hunk #1 FAILED at 101.
1 out of 1 hunk FAILED -- saving rejects to file PP/src/bands.f90.rej
patching file PW/src/divide_class.f90
patching file PW/src/make.depend
patching file PW/src/pw_restart.f90
patching file Modules/xml_io_base.f90
patching file Modules/version.f90
patching file PHonon/Gamma/make.depend
patching file PHonon/PH/addnlcc_zstar_eu_us.f90
patching file PHonon/PH/make.depend
patching file PHonon/PH/phq_readin.f90
patching file PHonon/PH/sgam_ph.f90
patching file PHonon/PH/solve_linter.f90
patching file PHonon/PH/write_eigenvectors.f90
patching file PHonon/PH/zstar_eu_us.f90
owner at ubuntu:/host/qexpress/espresso-5.0.2$3:58 PM

My input file is,
                      prefix = 'newco' ,
                      outdir = '/home/owner/' ,
                     filband = 'gaobands' ,
                        lsym = .false. ,
                  no_overlap = .false. ,

Output file is,

     Program BANDS v.5.0.2 (svn rev. 9392) starts on 22Dec2013 at 22:22: 6

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details

     Serial version

     Error in routine bands (1):
     gamma_only case not implemented

     stopping ...

Thanks and Regards,
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