Dear All. After vc-relax calculation how we can calculate optimized lattice parameters from output file.
My unit cell is tetragonal-P, I study Doc espresso and I see the relation between bravais lattice vector and Lattice parameter for tetragonal-P structure . but in my vc-relax output file, the new unit cell volume don?t change along vc-relax calculation and new unit cell is equal to first unit cell volume. With regards, Khodadad -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121203/1f73c3cb/attachment.html
