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SymmetryThis issue is related to symmetryThis issue is related to symmetry
Description
Describe the bug
When I use default symmetry_prec (that is 1e-6) and symmetry_prec 1e-5, the forces are different:
symmetry_prec=1e-6:
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TOTAL-FORCE (eV/Angstrom)
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Mo1 0.0000000000 0.0000000000 0.0000000000
Mo2 0.0000000000 2.1897877709 0.0000000000
S1 0.0000000000 -0.4863101120 0.0541911859
S2 0.0000000000 -0.4863101120 -0.0541911859
S3 0.0000000000 0.0000000000 0.0541911859
S4 0.0000000000 0.0000000000 -0.0541911859
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symmetry_prec=1e-5
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TOTAL-FORCE (eV/Angstrom)
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Mo1 0.0000000000 0.0000000000 0.0000000000
Mo2 0.0000000000 0.0000000000 0.0000000000
S1 0.0000000000 0.0000000000 0.0530687862
S2 0.0000000000 0.0000000000 -0.0530687862
S3 0.0000000000 0.0000000000 0.0530687862
S4 0.0000000000 0.0000000000 -0.0530687862
------------------------------------------------------------------------------------------
The force of QE:
atom 1 type 1 force = 0.00000000 -0.00000000 -0.00000000
atom 2 type 1 force = 0.00000000 0.00000000 0.00000000
atom 3 type 2 force = 0.00000000 0.00000000 0.00195641
atom 4 type 2 force = -0.00000000 0.00000000 -0.00195641
atom 5 type 2 force = 0.00000000 -0.00000000 0.00195641
atom 6 type 2 force = -0.00000000 -0.00000000 -0.00195641
Expected behavior
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Environment
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Additional Context
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SymmetryThis issue is related to symmetryThis issue is related to symmetry