<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:12pt">Dear Quantum espresso users,<br><br>I am learning to how to calculate the work function of certain metals using version 4.2.1 of the espresso code.<br>Using the workfct example, I did post-processing using pp.x and then average.x for Al100 but had a different output for the average calculation compared to the result obtained from the result file of the example.<br>Below is the input for average.x (just as in the example)<br>1<br>Al100.pot<br>1.D0<br>1440<br>3<br>3.835000000<br> <br>What does the number: 1440 and 3.835000000 represent in the input data and where did I miss getting the same result compared to the result obtained in workfct example on 4.2.1 version of the QE code?<br><br>Please I will really appreciate any comment that will help me get it right.<br><br>Rita.<br>University of
Benin,<br>Nigeria.<br><br><div><br></div></div></body></html>