Resp. Peter Blaha
yes sir, all these run with out XXX Stop and a "timing" line.
Regards
Sikander
On Fri, Jul 22, 2016 at 12:33 AM, Peter Blaha
wrote:
> First: Did all these steps run without an error. It should just say
> XXX Stop and a "timing" line.
>
> Am
First: Did all these steps run without an error. It should just say
XXX Stop and a "timing" line.
Am 17.07.2016 um 11:40 schrieb sikander Azam:
Dear All
I did the calculations for a compound by using GGA+U. The calculations
are well converged. But when i started calculating the properties, I
Dear All
I did the calculations for a compound by using GGA+U. The calculations are
well converged. But when i started calculating the properties, I found the
band structure empty for both up and down states.
For the band structure I give the following commands
x lapw1 -orb -up
x lapw1 -orb -dn
x
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