I am using 2Dxy is it the choice for fixing only zz coordinate?
On Friday, December 11, 2015 1:46 AM, Pascal Boulet
<[email protected]> wrote:
Hello,
you can relax the cell in the directions of the slab using keyword cell_do_free.
HTHPascal
Le 11 déc. 2015 à 09:33, Jaret Qi <[email protected]> a écrit :
Hello QE users,I need to add vacuum along the z-direction to study E-field
effect using saw-like potential. In this case do I need to do vc-relax or relax
will be enough?
Thank you in advance,JaretASU_______________________________________________
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Pascal Boulet - MCF HDR, Resp. L1 MPCI - DEPARTEMENT CHIMIEAix-Marseille
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