Hello,
In the Namelist &CELL, in the card press_conv_thr the Default is 0.5 Kbar.
What happens during VC-relax if the
(criteria: energy < 1.0E-04 Ry, force < 1.0E-03 Ry/Bohr, ....) are converged
but the P is -0.4 kbar?
Kindly let me know,
Thank you,
Regards,
Krishnendu
--
Dr. Krishnendu Mukherjee,
Senior Principal Scientist,
CSIR-NML,
Jamshedpur.
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