Dear Piyush Sir,
I tried increasing parameter along z to 10.0 A but it didn't work. It still
works on 7 or less no of processors.
Regards
Vishal Gupta
B.Tech. 3rd year Mechanical
Indian Institute of Technology Ropar
Rupnagar (140001), Punjab, India.
On Wed, Aug 26, 2015 at 7:14 PM, Piyush Kumar
Dear Vishal,
I think if you are not turning off the periodic boundary conditions, then
your system is possibly wrong. By default QE works on periodic boundary
conditions, so if you want to simulate a 2D system, then you should put
some vaccum in the z direction, so that there is no interaction betw
I've been running an SCF calculation for a free Ni system on High
performance cluster. The job runs fine with processors 7 or less but it
always leads to segmentation fault if the no of processors exceeds 7. The
job takes 4-5 days for the run.
I think the problem is in the definition of cell parame
