Dear Pwscf users I have a problem in using average.x, after DFT ground state calculations i use pp.x for saving the V_bare + V_H potential in "fermipot.dat" file. I want to use average.x for average the data saved in the file for obtaining the fermi level(follow the instruction of work_FCT example of espresso) i use the following input file for average.in:
1 fermirefpot 1.D0 500 3 55.809 where if i am not wrong,*55.809 is my lattice constant in bohr and i want to get 500 data finally. but the program average.x is steel running after two days for a 16 processor server and in .out file i see: Reading header from file fermirefpot.dat the cpu is fully engaged but the memory usage is 0%! i think there is something wrong in my input file.*I try to change some parameters like "3->2 or 1" and "500->1000 or 300" but the result is the same. i would be really grateful *if you could help me, Thanks indeed for your time and kindness Meysam* -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110421/aba6a550/attachment.htm
