My Community

Dear VASP users,

I am trying to optimise the unit cell parameters for a monoclinic structure. Can any one tell me a good strategy to optimise all the cell parameters ( cell axes lengths, angles). Thanking you.

Naidu.

check out this part of the manual:
http://cms.mpi.univie.ac.at/vasp/vasp/node217.html

Cheers
Danny

Dear Danny,
Thank you for the information.