[Pw_forum] Lattice_parameters

aprateek at iisermohali.ac.in aprateek at iisermohali.ac.in
Wed May 31 05:47:01 CEST 2017


Hi all,
I am beginner in using Quantum Espresso. I want to know about the
optimization of lattice parameters.
1. First we need to run scf than vc-relax or vice-versa?
2. what is the flow chart of optimization.
3. To find optimized lattice parameters, one should vary one lattice
parameter by keeping other two parameters constant. Is there any-other way
to find out these?

Thanks




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