Re: [QE-users] Re?? Re?? Error happens after setting max_seconds in turbo_davidson.x

2021-04-19 Thread Iurii TIMROV via users
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

[QE-users] Re?? Re?? Error happens after setting max_seconds in turbo_davidson.x

2021-04-18 Thread ??
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.