Suppose your input is like this -----------------------------input like this----------- 1 out.dat 1 400 //// number of points 3 //// 3 means along z direction 2.351833 //// window size ---------------------------------------------------------- ????? ?????? wrote:
>Hi >I want to calculate the work function for slab ,Iread >every thing abuot it in the fourm and made pp.x and >average .x but I have some questions please answer me >:1- what is the difference between column 1 and 2 in >the output of average.x > > There are 3 columns in the output: column1 is the z direction (in bohr), column2 is the planner average and column3 is the average of column2 (the average of every n points in column2, n is determined by the "window size"). >2- In which units the potentials in the output of >average.x is it Ryd > > Yes. >3-What is the difference between planner average and >macroscopic average ,how we can calculate planner >average . > >4-Regfering to J.phy.condens.matter >11(1999),2689-2696 ,how can I choose the mean >electrostatic potential as areference for Efermi and >macroscopic potential . please answer me ,thanks. > >__________________________________________________ >Do You Yahoo!? >Tired of spam? Yahoo! Mail has the best spam protection around >http://mail.yahoo.com >_______________________________________________ >Pw_forum mailing list >Pw_forum at pwscf.org >http://www.democritos.it/mailman/listinfo/pw_forum > > >
