[Pw_forum] probelm in projwfc name list

2012-10-09 Thread asa aravindh
Dear PWSCF users, I encountered a problem while ?calculating the projected dos.? When I run projwfc, the following error comes, ?? %% ? ? ?task # ? ? ? ? 7 ? ? ?from projwfc : error # ? ? ? ? 1 ? ? ?reading projwfc

[Pw_forum] scf-convergence

2008-10-13 Thread asa aravindh
Dear all.. I am trying to do scf calculation of an fe/co nanowire along the bcc (110) direction. However the calculation is not getting converged..after even 100 iterations.. the scf accuarcy is not reached and suddenly the program stops ... can anybody pls tell me if anything is wrong with my