Hi Haldar, thank you so much, I will try. 2010/5/31 soumyajyoti haldar <soumyajyoti.haldar at gmail.com>
> Hi, > > you have to set ion_temperature = 'reduce-T' > it reduce the ionic temperature every "nraise" steps by the (negative) > value "delta_t" > so you need to set those also. > > For more details on the parameter pls refer to you <QE install > directory>/Doc/INPUT_PW.txt , Name List IONS. > > Reagards, > > > > -- > Soumyajyoti Haldar > > Junior Research Fellow > Advance Computing Laboratory > Department of Physics, University of Pune > Ganeshkhind, Pune - 411007; INDIA > > Tel : (+91 20) 25692678; Extn # 408 > ~~~***~~~***~~~***~~~***~~~***~~~***~~~***~~~ > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- Yours Regards, chenjie GU EEE,Nanyang Technoligical University -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100601/c89ed34b/attachment.htm
