Dear Paolo, Thank you for heping. I found the problems. Gcc4.8 is not good for compiling QE 6.8. It will meet some errors. 1 . I used gcc 10.2 to re-compiled mpi/openmp 2. I use gcc 10.2 to compiled libxc, 3. I use gcc 10.2 and intel mkl libs to compile QE6.8 (with libxc) Then QE6.8 looks good. However, when I use SCAN via “ input_dft = “ wth SCAN pseudopotential, it will have “ Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG” in the end. But the calculations are correct. However, if I use PBE or TPSS (with PBE pseudopotential or tpss pps), it is pretty good, has no such “Note”. Is there any way I can go around this issue? Thank you very much. Best, Hong
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