Dear users!
I have subtle confusion between "press" and
"press_conv_thr" . What does the Target pressure implies? And why we are
using thee two parameters for pressure convergence. As in my case energy
and force(=0.000) are converging but pressure is not converging so finally
I am not achieving convergence with respect to ion dynamics. So pressure is
creating a problem for me. Can anybody please help me out.?
Thanks in advance.
MOHNISH
--
Mohnish Pandey
Y6262,4th Year Undergraduate,
Department of Chemical Engineering,
IIT KANPUR
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