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--></style></head><body lang=EN-IN style='word-wrap:break-word'><div class=WordSection1><p class=MsoNormal>Dear all,<o:p></o:p></p><p class=MsoNormal>I have compiled qE 6.7 with libxc library successfully. I have downloaded SCAN pp files from QE website. I have tried commands with input_dft=’scan’ and ‘mgga_x_scan mgga_c_scan’. IT is showing error like dft method scan is unrecognized. I am sure that libxc library is successfully linked to qE. I have even changed flag from xc_f90 to xc_f03 in certain subroutines and in the make file mentioned in the documentation. Still it is showing the same error. I am trying to calculate the ground state energy of isolated oxygen atom using scan pseudo potential. <o:p></o:p></p><p class=MsoNormal>Thanks in advance for any suggestions.<o:p></o:p></p><p class=MsoNormal>Following is the error I am getting<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><i><span style='color:red'>Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% <o:p></o:p></span></i></p><p class=MsoNormal><i><span style='color:red'> Error in routine set_dft_from_name (1): SCAN: unrecognized dft %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... </span></i>-------------------------------------------------------------------------- <o:p></o:p></p><p class=MsoNormal>Sincerely,<o:p></o:p></p><p class=MsoNormal>Raj Maddipati<o:p></o:p></p><p class=MsoNormal>Rajmaddipati95@gmail.com<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p></div></body></html>