Dear Users, I want to perform a calculation on a hexagonal cell by optimizing the cell volume for fixed c/a values.
The issue I'm facing is that I don't know how to constrain the value of c/a in constr.f and perform a variable cell optimization. Any assistance on how to solve this problem would be highly appreciated. Thank you. Regards FG
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
