[Pw_forum] confusion regarding parameter "press" and "press_conv_thr" in vc-relax calculation

[Stefano de Gironcoli]

press is the external pressure you want to balance.
press_conv_thr is the tolerance you accept to decide when to stop.  (I 
think that the default is 0.5 kBar and should be ok)
stefano

mohnish pandey wrote:
> 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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