I provide them in the attached files.Thanks!
1158405...@qq.com
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??:
"Paolo Giannozzi"
Can't be. PLease provide your input and output
Paolo
On 22/05/2024 18:02, 凉言 via users wrote:
Hello all,
I have tried to calculate the 'scf' of a supercell with qe-7.0, while i
find the 'total energy' and the 'force' are different between 'k_points
gamma' and 'k_points {automatic} 1 1 1 0 0 0
Hello all,
I have tried to calculate the 'scf' of a supercell with qe-7.0, while i find
the 'total energy' and the 'force' are different between 'k_points gamma' and
'k_points {automatic} 1 1 1 0 0 0' , all the other parameters are consistent. I
wonder why there is a large error between them.
B
