On Oct 9, 2009, at 11:56 , Dimpy Sharma wrote: > ' convergence NOT achieved after 100 iterations: stopping' > please see here: http://www.quantum-espresso.org/user_guide/ node76.html#SECTION00096020000000000000
P. --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
