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 ~~~***~~~***~~~***~~~***~~~***~~~***~~~***~~~ -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100531/5d60468d/attachment.htm
