Tue, 3 Aug 2021 16:42:52 +0530
> Subject: [QE-users] Forces are oscillating for P
> Dear QE Users,
> I am trying to run phosphorus with QE_6.4 but the forces are
> oscillating between two values as shown below:
> scf.in.out: Total force = 0.008737 Total SCF correct
A gentle reminder.
Regards
Bhamu
On Tue, Aug 3, 2021, 8:12 PM Dr. K. C. Bhamu wrote:
> Dear QE Users,
> I am trying to run phosphorus with QE_6.4 but the forces are
> oscillating between two values as shown below:
> scf.in.out: Total force = 0.008737 Total SCF correction =
> 0.
Dear QE Users,
I am trying to run phosphorus with QE_6.4 but the forces are
oscillating between two values as shown below:
scf.in.out: Total force = 0.008737 Total SCF correction =
0.02
scf.in.out: Total force = 0.014135 Total SCF correction =
0.02
scf.in.out: T
