[Pw_forum] Lower limit of target pressure
subhopcqc at gmail.com
Sat Sep 24 08:39:50 CEST 2016
Dear PWSCF developers,
Is there any restriction in the code for the "press" (target pressure)
I successfully get my vc-relax calculations converged to desired pressure
values as high as several terapascal, however, when I set a low enough
value, e.g. 1 bar (i.e. press = 0.001), the final pressure in the output
differs a lot!
*Senior Research Fellow*
*Department of Chemistry*
*University of Calcutta*
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