On Sun, Mar 16, 2014 at 7:17 AM, H*X <85904751 at qq.com> wrote: > 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.
try this, please: http://lmgtfy.com/?q=gamma_only+case+not+implemented > > > Best regards, > Xin He > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Dr. Axel Kohlmeyer akohlmey at gmail.com http://goo.gl/1wk0 College of Science & Technology, Temple University, Philadelphia PA, USA International Centre for Theoretical Physics, Trieste. Italy.
