How to perform dissociation energy calculations in vasp?
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I tried to calculate the dissociation energy of H2 using .... 80 ionic steps should do .... tak: no, zero point energies are not included in vasp ...
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tried to calculate the dissociation energy of H2 using ... I have got a dissociation energy about 6.7 eV, while .... tak: no, zero point energies are not included in vasp
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