Dear QE Users,
We want to do a vc-relax for our structure which is having vacuum along
y-direction.
By default option in QE is to do a vc-relax with cell_dofree='2Dxy'.
To change it to 2Dxz, I have modified and compiled the pw.x with below
setting
CASE ('2Dxy')
iforceh = 0
iforceh(1,1) = 1
iforceh(3,3) = 1
iforceh(1,3) = 1
iforceh(3,1) = 1
Am I doing it right? Or do I need to change some other parameters too?
Thank you very much
Regards
Bhamu
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