[Pw_forum] Re nscf calculation

Swati Khatta swati.khatta at gmail.com
Sat Sep 13 13:02:31 CEST 2014


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
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