Hello everyone, hope you are doing well.
I am trying to calculate the HSE bandstructure for MgO, while running
VC-RELAX i am getting error as shown below:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
task # 1
from ggens : error # 2
mismatch in number of G-vectors
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Please help me to resolve this issue. I am attaching the input file.
Thank you. Regards
Jagapathi Babu Battu
M.Tech(2020-2022)
IIT Kharagpur.
MgO_vc.in
Description: Binary data
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