On Thu, Jun 4, 2015 at 1:45 PM, saswata halder wrote:
"from checkallsym : error # 1
> some of the original symmetry operations not satisfied ."
>
numerical noise may lead to the loss of the original symmetry. This usually
happens after many iterations.
If it happens after the first
Dear all,
I have been trying to carry out the vc-relax of double perovskite
Sr2MgWO6 with cubic Fm3m symmetry. The calculation stops showing the
following error.
"from checkallsym : error # 1
some of the original symmetry operations not satisfied ."
the input file is provided below:
