Hi, <br><br>you have to set ion_temperature
= 'reduce-T'<br>it reduce the ionic temperature every "nraise" steps by the (negative) value "delta_t"<br>so you need to set those also. <br><br>For more details on the parameter pls refer to you <QE install directory>/Doc/INPUT_PW.txt , Name List IONS. <br>
<br>Reagards, <br><br><br clear="all"><br>-- <br>Soumyajyoti Haldar<br><br>Junior Research Fellow<br>Advance Computing Laboratory<br>Department of Physics, University of Pune<br>Ganeshkhind, Pune - 411007; INDIA<br><br>Tel : (+91 20) 25692678; Extn # 408<br>
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