Hello,
I noticed that some people run SCAN calculations with QE v.6.5. I tried this, but my test has failed.
I compiled 6.5 version with LibXC-4.3.4. When I activate "input_dft = 'scan'" in my input file,
I get the following error just before first scf step:
....
total cpu time spent up to now is 1.0 secs
Self-consistent Calculation
iteration # 1 ecut= 100.00 Ry beta= 0.70
Davidson diagonalization with overlap
ethr = 1.00E-05, avg # of iterations = 14.0
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Error in routine tau_xc (5):
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This case is not implemented
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Error in routine tau_xc (5):
This case is not implemented
Error in routine tau_xc (5):
Am I missing something? It is simple "scf" calculation with ONCVPSP pseudopotentials.I even tried SCAN pseudo without 'input_dft' option and still got the same error.
Thanks,
Sergey
University of South Florida.
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