It should stop, but the check applies to all components of the stress, so each must be within the threshold.
________________________________ From: users <[email protected]> on behalf of KRISHNENDU MUKHERJEE <[email protected]> Sent: Thursday, July 9, 2026 07:32 To: users <[email protected]> Subject: [QE-users] Is absolute value of press_conv_thr is considered ? 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.
_______________________________________________________________________________ The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare. -------------------------------------------------------------------------------- Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
