Sorry for not noticing your message: this problem is invariably related
to input data with ibrav=0 and a structure that has an approximate
symmetry. You should try to make the structure closer to a perfectly
symmetric one
Paolo
On 12/29/22 13:40, Geng Sun wrote:
Dear all,
I am stuck by a strange error like:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
task # 57
from sym_rho_init_shell : error # 2
lone vector
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
I have attached the input file and the CRASH file I got from the job.
How can I fix it?
Thank you very much in advance.
Best,
Geng
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