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Q: Relaxing structure under different pressure and constant temperature with VASP

KieranI am relaxaing the structure under 800 $^{\circ}$C and different pressure. I only want to set the pressure/force along the $z$ axis; rather than $x$ and $y$ axes. I know that VASP cannot set pressure along single axis; therefore, I adapt the NVT ensemble and change the volume of the structure thr...

vasp molecular-dynamics

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