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Adding support for RVV10+SCAN functional (and any metaGGA+VDW in general)

Lorenzo Paulatto requested to merge paulatz/q-e:requests into develop

Support for RVV10+SCAN as reported in PHYSICAL REVIEW X 6, 041005 (2016), which requires using a different value of the parameter "b" in RVV10. CHanges in the code:

  1. Modules/xc_rVV10.f90 : rvv10 takes an optional parameter to specify the value of b
  2. PW/src/v_of_rho.f90 : v_xc_meta calls nlc to apply non-local XC
  3. Modules/funct.f90 : new shortname rvv10-scan defined and nlc modified to call rvv10 with b=15.7 when imeta=5 is detected

Note that you still (as of june 2018) need to compile QE with pre-release version of libxc in order to have the SCAN functional.

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