I want to calculate the piezoelectric tensor, so I have used LEPSILON=true in INCAR. Is this tag is working without giving strain on the system? or there is another method to calculate the piezoelectric tensor? Can anyone please explain me?
did you check on this example: http://cms.mpi.univie.ac.at/wiki/index.php/Dielectric_properties_of_SiC? the vasp calculates PZE tensor in either clamped-ion approach or thru perturbation theory.
I calculate the piezoelectric tensor by using :
Ionic relaxation:
NSW = 1 number of ionic relaxation steps
IBRION = 8 update method -1-no 0-MD 1-quasi Newton 2-CG 3-damped MD 5-Hessian
POTIM = 0.02 step size | timestep | scale optimization
NFREE = 2 Hessian construction 1|2|4 (to be used with IBRION=5)
ISIF = 3 relax 2-only atoms 3-everything 4-atoms,cellshape 5-cellshape
EDIFFG = 1E-08 stopping criterion on gradients; if positive on energies
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