Hello Fabrizio, Thank you for the reply. Here I am including the word document in which I have clearly explained all the steps I followed. I am getting one error with make pw command which says make libupf is failed. I guess the reason would be wrong scalapack library? I took BLAS SCALAPACK LAPACK and FFT LIBS directory link from intel advisor website. Please let me knoe if this is the reason scan is unrecognized and how to proceed further. Thank you. Sincerely, Raj Maddipati From: Fabrizio Ferrari Hello, compatibility with the recent libxc version 5.1.3 still hasn't been fully checked in QE, however, I managed to run a few tests with QE6.7 with no problems, both with libxc 5.1.2 and 5.1.3 (in QE6.7 there should be no need to change xc_f90 to xc_f03 anywhere). Has your QE code been modified with respect to the original form? Can you provide some more details on your input file and pseudo files? Cheers, Fabrizio CNR-IOM On Thu, Apr 22, 2021 at 8:03 PM Raj <rajmaddipat...@gmail.com> wrote:
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Steps followed.docx
Description: MS-Word 2007 document
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