external pressure
Posted: Sun Dec 13, 2009 12:17 pm
Hi Everybody,
I am a new VASP user. I want to calculate the effect of high pressure on Ni nanotube.That means I have to give the desired pressure in PSTRESS-tag in the INCAR file. But I have seen a line "External perssure=23 Kb". I am giving an external pressure in the INCAR file but at the same time I am getting an different external pressure in the outcar file. Even when no pressure is given to the INCAR file that means PSTRESS=0 by defalt I am getting an external pressure.
Any suggestion would be accepted.
I am a new VASP user. I want to calculate the effect of high pressure on Ni nanotube.That means I have to give the desired pressure in PSTRESS-tag in the INCAR file. But I have seen a line "External perssure=23 Kb". I am giving an external pressure in the INCAR file but at the same time I am getting an different external pressure in the outcar file. Even when no pressure is given to the INCAR file that means PSTRESS=0 by defalt I am getting an external pressure.
Any suggestion would be accepted.