Hi. I experienced this issue for lower versions of QE too. So it was not a bug in QE-7.3. I resolved the issue by slight modification of PP generation input file and with new PAW-PP I get forces at each iteration. Thanks.
Mahmoud ----- Original Message ----- From: Mpayami via users ([email protected]) Date: 30/10/1402 00:46 To: Quantum ESPRESSO users Forum ([email protected]) Subject: [QE-users] "CALL forces()" for PAW potential Does not work Dear Prof. Paolo Giannozzi, Hi. Kindly, when using USPPs then uncommenting "CALL forces()" line in QEROOT/PW/src/electrons.f90 calculates the forces at each iteration step. However, when using PAW-PPs, it returns "**************************************" instead of numbers. I would be grateful if you please help me to manage it. Best regards, Mahmoud Payami NSTRI, AEOI Tehran, Iran Email: [email protected] Phone: +98(0)2182066504 ------------------------------------ _______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
