[Pw_forum] vc-relax calculation

marziyeh khodadad khodadadmarziyeh at gmail.com
Mon Dec 3 22:06:21 CET 2012


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
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