hello quantum espresso users
my scf calculations goes well with no error but when I do nscf calculation
the following error occurs after some iterations
Error in routine efermig (1):
internal error, cannot bracket Ef
stopping ...
I play with occupations , smearing and kpoints and nbnds but same error
occurs
with Regards
swati khatta
department of Physics
panjab university
chandigarh, INDIA
-------------- next part --------------
An HTML attachment was scrubbed...
URL:
http://pwscf.org/pipermail/pw_forum/attachments/20140913/fca765d1/attachment.html