After the vc-relax calculation I am able to get the atomic positions of the relaxed structure in the output file but I cannot find the lattice parameters of the relaxed structure. I am using Quantum ESPRESSO for this calculation.
Dear Edward
In the output file that has been generated after running the vc-relax calculation, search for CELL_PARAMETERS and ATOMIC_POSITIONS.
The last two of these will give you the optimized cell parameters in the materix form and atomic positions.
Good luck
Thank you Showkat.
How do I get the lattice parameters themselves from the matrix form.?
Dear Edward Under Cell_PARAMETERS You will see three lines The first one is the lattice parameter (a) in vector form, i.e. a = ax+ay+az where ax is the component along x-axis, ay along y-axis ans az along z-axis. Similarly, second and third lines give you the b and c vectors.
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