Dear Timo, I had the same problem with ESPRESSO. And I solved with the following hack (file kpoint_grid.f90 from PW directory is attached). You should add only three new strings to original file (marked with "! *** MODIFICATION"). Please note, that my file is from ESPRESSO 3.0 code (not the latest). And you forced to use smearing technique.
Best regards, Dmitry Korotin PhD student, Institute of Metal Physics, Ural branch of RAS, Russia P.S.: Yes, I know that use of "goto" constructions is bad :) -------------- next part -------------- A non-text attachment was scrubbed... Name: kpoint_grid.f90 Type: text/x-fortran Size: 10631 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20071122/c463f3ad/attachment.bin
