On Mar 21, 2012, at 17:05 , Alex Kutana wrote: > There is a search function for the pw_forum, although It's well hidden
there are two search functions, both linked and well visible in the "Contacts" page of the QE web site. About the original qeustion: QE calculates total energies per unit cell, in Ry. The absolute value of the energy depends upon the specific set of pseudoppotential and has no physical meaning; energy differences have physical meaning 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
