<div>Dear all</div>
<div> </div>
<div>I am new user of pwscf. Recently I am planning to calculate the work function of some metal oxide surface. But I don't know where to start first? </div>
<div> </div>
<div>The code has been successfully compiled on fedora PC clusters. Could anybody give me a input file for calculating work function? And I wonder how to obtain the energy of vaccum space, since it seems that pwscf cannot directly give rise to that value, so maybe some programs are needed. Would anyone send me a such file? Thanks in advance.<br clear="all">
<br>-- <br>Sincerely<br><br>Jiaye Li<br><br><br><br>==============================================<br>Li, Jiaye<br><br>M.S. in designing and developing novel materials<br><br>Research experience: <br>*ALD precursor. ie. Metal complexes<br>
*Surface modification. ie. Indium tin oxide, SiO2<br>*Gas storage and adsorption. ie. Ionic Liquids<br><br>Skills:<br>*ab-initial method, DFT simulation and Force Field simulation<br><br>Please contact me at: <br>1. <a href="mailto:jameslipd@gmail.com">jameslipd@gmail.com</a> or<br>
2. <a href="mailto:jameslibd@gmail.com">jameslibd@gmail.com</a><br><br>==============================================<br></div>