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Dear Admin,

It is possible using vasp to simulate the compression/tension stress-strain behavior ?

Just for the ideal case. I keep the cubic supercell volume constant and decrease the supercell length in one direction and increase the length in the other two dirctions manually. Then I run vasp to relax the structures (ISIF=2) to get the energies and stresses. By the above method, I could get the different strains and corresponding stresses. I don't know whether my idea is feasible?!

Any answers and suggestions are welcome !

Thanks in advance !

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