[Pw_forum] Lower limit of target pressure

[Subhodip Chatterjee]

Dear Paolo,

Thanks for your reply. But the main problem is not solved, because none of
the two values are appropriate with respect to the input, i.e. target
pressure of 0.001 kbar with a pressure convergence threshold of 0.0001 kbar!

What changes in the input are needed to get the optimized geometry at 0.001
kbar pressure?

Best regards
Subhodip

-- 
*Subhodip Chatterjee*

*Senior Research Fellow*

*Department of Chemistry*
*University of Calcutta*
*Kolkata, India*
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