On Jan 7, 2012, at 2:35 , GAO Zhe wrote: > Is it possible to use conjugate gradient in ph.x ? edit routine "set_defaults_pw.f90", change "isolve=0" to "isolve=1", recompile P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222