Dear developers, I have a very basic question, that I had never realized so far and has been asked by a students of mine...
If I set to .TRUE. the logical fields tstress and tprnfor in the &CONTROL stanza of the pw.x input during a pure scf calculation, how are the forces on the ions calculated? What do the displayed values represent if only a scf calculation is performed and the ionic coordinates are not allowed to change? Thanks for your time. -- Cristian Degli Esposti Boschi CNR-IMM, Sezione di Bologna, via Gobetti, 101, 40129, Bologna, Italia tel. ++39 051 6399152, fax ++39 051 6399216 degliesposti -AT- bo.imm.cnr.it