Dear all<br><br>I follow the trend used in Work_Fct example of espresso for obtaining the work function of my super cell.<br>I increase the vaccum layer of my super cell and by PP.x save the V_bare + V_H potential and use average.x for averaging.<br>
But the macroscopic and planar averages is not match at the borders of supercell.(each of them converge to a different constant at the border)<br>Could you help me that my results is true or not?<br>and What is the diference between macroscopic and planar averages?<br>
Thanks indeed for your consideration <br>Regards<br>Meysam Pazoki<br>SUT<br>