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<DIV dir=ltr><FONT size=2 face=Arial>Hi Quantum espresso users.</FONT></DIV>
<DIV dir=ltr><FONT size=2 face=Arial>I would like to predict an approximate CPU time usage to finish one scf calculation in quantum espresso for a system with 5 supercells. I have the CPU time usage for the same sytem with one supercell.So are there any possible ways to predict the time needed for more number of supercell (for the same system) required in quantum espresso,without doing the simulations.Can I calcuate it from the following method </FONT></DIV>
<DIV dir=ltr><FONT size=2 face=Arial><SPAN style="LINE-HEIGHT: 115%; FONT-SIZE: 12pt"><FONT face=Calibri>T<SUB>scf</SUB>= N<SUB>iter</SUB>T<SUB>iter</SUB> + T<SUB>init</SUB></FONT><?xml:namespace prefix = o ns = "urn:schemas-microsoft-com:office:office" /><o:p></o:p></SPAN></DIV></FONT>
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<DIV dir=ltr><FONT color=#000000 size=2 face=Arial>Thanks and Regards.</FONT></DIV>
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<DIV dir=ltr><FONT size=2 face=Arial>Dimpy</FONT></DIV></DIV>
<DIV dir=ltr id=idSignature57228><PRE>Dimpy Sharma
ETG-Group
Tyndall National Institute
Cork</PRE></DIV></BODY></HTML>