lattice constant
Posted: Wed May 29, 2013 6:23 am
Sir,
On doing K-point and Cutoff energy convergence for hexagonal system, lattice constant not changed anymore. It remains same in all calculations. Is this correct? Or, i have done any mistakes.
I use ISIF=2 in INCAR file.
On doing K-point and Cutoff energy convergence for hexagonal system, lattice constant not changed anymore. It remains same in all calculations. Is this correct? Or, i have done any mistakes.
I use ISIF=2 in INCAR file.