Hi, This is a limitation in 4.0 and prior versions. In 4.1 this restriction has been lifted and you can do calculations on skewed cells.
Den tor. 21. nov. 2019 kl. 22.00 skrev El-abed Haidar < ehai2...@uni.sydney.edu.au>: > Good afternoon, > I have a question concerning the unit cell for a transiesta study. IN THIS > LINK: > https://www.mail-archive.com/siesta-l@uam.es/msg07905.html > > Apparently the geometry of the unit cell is not compatible if the c axis > is not simultaneously perpendicular to a and b. Is that really the case? > The manual does not state that in an obvious manner. > Could you elaborate on the reasoning behind of this? > Any other conditions for the unit vectors to be transiesta friendly? > Thank you and eager to read the reply. > EL-abed > > El-abed Haidar | Doctor of Philosophy (Science) > Condensed Matter Theory (CMT) Group > | School of Physics > THE UNIVERSITY OF SYDNEY | NSW | 2006 > > > -- > SIESTA is supported by the Spanish Research Agency (AEI) and by the > European H2020 MaX Centre of Excellence (http://www.max-centre.eu/) > -- Kind regards Nick
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
