[Pw_forum] uniaxial strain on monolayer of transition metal di chalcogenides

[Sohail Ahmad]

Dear QE users
I  am interested in studying different aspects of transition metal dichalcogenides. For that a band gap and DOS have been performed on bulk and monoloayers. To optimize the structure i fixed the volume and varied lattice a and c one by one


Now i wish to apply strain in one direction, what will i have to do to optimize the structure
I mean if some one could help me the step how to relax the structure
what are the possible changes in input parameter as compared to bulk or monolayer

Thanks

 Sohail
KKU
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