Dear experts, I want to calculate bans structure for a system having 80 atoms. I run a scf and bands calculations and then UI used bands.x . The output of bands.x is below
" Program BANDS v.5.0.2 (svn rev. 9392) starts on 21Sep2016 at 21: 3:39
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 at
http://www.quantum-espresso.org/quote.php
Parallel version (MPI), running on 1 processors
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine bands (1):
gamma_only case not implemented
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ..."
What is the wrong ?
The three input files are attached,
Thank you in advance
Abdullah
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ZovZu2-BAND.in
Description: ZovZu2-BAND.in
ZovZu2-bandsx.in
Description: ZovZu2-bandsx.in
ZovZu2-SCF.in
Description: ZovZu2-SCF.in
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