[Pw_forum] bands.x help
H*X
85904751 at qq.com
Sun Mar 16 12:17:57 CET 2014
Hi, all, While running a band structure calculation of bulk silicon, running bands.x < bands.in > bands.out gives me the following error:
Program BANDS v.5.0.2 (svn rev. 9392) starts on 16Mar2014 at 18:25:47
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 ...
Espresso-5.0.2-5.0.3.diff have been downloaded and installed. I am confused with the problem for a few days. It is very kind of you to help me.
Best regards,
Xin He
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