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<div class="moz-cite-prefix">comparing apples with oranges it's
usually not a great idea. <br>
make a sensible comparison and report the result if it still
puzzles you.<br>
best,<br>
stefano<br>
<br>
On 07/22/2012 10:55 PM, sylvian wrote:<br>
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Hello
cp.x is printing an Etot at the end of the run (in my case something like
-47 Ha). Taking its state at the end of the run, i.e. ions positions and
charge density, as an input to pw.x (admittedly with a different
pseudopotential) I am getting a "total energy" differing by an order of
magnitude (in my case -800 Ry).
I guess that these two quantities are supposed to be somehow related, so
what are they representing and why are they so different ?
---------------------------------------------------
Sylvian Kahane
Nuclear Research Center - Negev
P.O.Box 9001, Beer-Sheva, 84190
Israel
Physics Dept. fax: 972-8656-7878
email: <a class="moz-txt-link-rfc2396E" href="mailto:skahane@bgumail.bgu.ac.il"><mailto:skahane@bgumail.bgu.ac.il></a> <a class="moz-txt-link-abbreviated" href="mailto:sylviankahane@gmail.com">sylviankahane@gmail.com</a>
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