Commit 306bb14
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Verify(xc): stress validation for gga_grad=3 across builtin and libxc paths
LCAO nspin=4 stress results:
- builtin/libxc gga_grad=1: Stress_xx = -1093.97 kbar
- builtin/libxc gga_grad=3: Stress_xx = -1103.40 kbar
- SF correction ~10 kbar on diagonal stress components
- builtin and libxc match exactly at gga_grad=3
PW nspin=4 stress results:
- builtin/libxc gga_grad=1: Pressure = -20479.03 kbar
- builtin/libxc gga_grad=3: Pressure = -20468.30 kbar
- SF correction ~10.7 kbar on pressure
- builtin and libxc match exactly at gga_grad=3
Both energy and stress are consistent across builtin and libxc
implementations, confirming correctness of the SF transform in
the libxc GGA stress path.1 parent b5b2898 commit 306bb14
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