Dear GAO Zhe, Thank you for the reply, Its working fine now.
how about writing it as: mixing_mode = 'local-TF' , ? -- GAO Zhe CMC Lab, Materials Science & Engineering Department, Seoul National University, South Korea On Fri, Jul 13, 2012 at 5:25 PM, Ramesh Kumar <rameshchitumalla at gmail.com>wrote: > Dear Users, > > When I run 'relax' calculation of TiO2 with v.4.3.1, it is running > successfully. > The same file, if I run in v.5.0, its giving an error "Bad data for > namelist object mixing_mode" and if I remove the mixing_mode from the input > file, in v.5.0 also it is running successfully. Please some one help me in > this regard. I am giving the input here.... > > - > *With Best Regards: > > * > *CH. Ramesh Kumar > Ph.D Student, > Computational Chemistry Lab, > Indian Institute of Chemical Technology(IICT),* > *Tarnaka, ** > Hyderabad. > * > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120713/c84ab1fe/attachment.htm
