[Pw_forum] B3LYP: two conflicting matching values

[Carlo Nervi]

Dear PWSCF users and developers,
I recently tried to use the -DEXX option compiling PWSCF (17 March 2010 
version), because I'd like to test b3lyp functional.
Since I did not found much b3lyp PPs, I'm trying to play a little around 
with ld1.x and generate them.
However, if I use dft='b3lyp', the ld1.x exit with the following message:

      from set_dft_value : error #         1
      two conflicting matching values

If I choose another dft (for example hse) there is no error message.
Reading the source code I understood that it could be some overlapping 
with the blyp functional calling the set_dft_value subroutine, but I 
cannot go any further in my thoughts....

Anyone could give a suggestion?

Thanks,
	Carlo

P.S.: the same happens using the atomic_doc/paw_library/input/C.in by 
Lorenzo Paulatto if you modift dft='PBE' into dft='b3lyp'.

-- 
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Carlo Nervi carlo.nervi at unito.it Tel:+39 011 6707507/8
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via P. Giuria 7, 10125 Torino, Italy
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