Dear Quantum espresso users, I am learning to how to calculate the work function of certain metals using version 4.2.1 of the espresso code. 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. Below is the input for average.x (just as in the example) 1 Al100.pot 1.D0 1440 3 3.835000000 ? 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?
Please I will really appreciate any comment that will help me get it right. Rita. University of Benin, Nigeria. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131209/578ac6fb/attachment.html
