ril 18, 2021 10:28:45 PM
To: users
Subject: [QE-users] Re?? Re?? Error happens after setting max_seconds in
turbo_davidson.x
Dear Iurii,
Thanks for your reply. I modified my input followed with your suggestion but
ecut is set as 40 (30 cannot make convergence), and ran the calculation using
QE6.5. I
Dear Iurii,
Thanks for your reply. I modified my input followed with your suggestion but
ecut is set as 40 (30 cannot make convergence), and ran the calculation using
QE6.5. It made restart file successfully. It seems that large memory
contributed to big value of ecut leads to the problem.