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<DIV>Dear QE users,</DIV>
<DIV> </DIV>
<DIV style="TEXT-INDENT: 2em">I am studying the cpmd recently. I want to melt
the Ca2SiO4 crystal by heating it up (target temperature is 3000K) . But I don't
know how to select parameter of nhpcl, nhptyp and fnosep. I know that the
nhpcl is the number of nose-hoover chain. And when I increase the number, the
heating process will become stable and extended. But the temperature ranges from
-500 to +500K. And the ekinc keeps going up. Can you tell me the meaning of
these paratemer and how to contron the temperature stablely. </DIV>
<DIV style="TEXT-INDENT: 2em"> </DIV>
<DIV style="TEXT-INDENT: 2em">Best,</DIV>
<DIV style="TEXT-INDENT: 2em">Leo</DIV>
<DIV> </DIV>
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<DIV align=left>2022-02-19</DIV>
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<SPAN id=_FlashSignName>ustbhh</SPAN> </DIV></STATIONERY></BODY></HTML>