Hi, Sorry for the error in the subject of the previous message: it should be
"SIESTA yields negative total energy and TranSIESTA starts with positive total energy"
Neculai ******************************************************* N. Plugaru National Institute for R&D in Microtechnologies (IMT-Bucharest) Simulation, Modelling and Computer-Aided Design - Laboratory L5 126A, Erou Iancu Nicolae Street, 077190, Ilfov Bucharest, ROMANIA E-mail: neculai.plug...@imt.ro Tel: +4021 269 0777 https://www.imt.ro *******************************************************
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
