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README
This example tests pw.x for the noncollinear/spin-orbit case with DFT+U and Ultrasoft pseudopotentials. The calculation proceeds as follows: 1) make a self-consistent calculation for bcc-Fe (input=Fe.scf_pbe.in, output=Fe.scf_pbe.out). 2) make a band calculation for bcc-Fe (input=Fe.band_pbe.in, output=Fe.band_pbe.out). The values for U and J are set to 2.2 eV and 1.75 eV respectively as obtained by Dr. Matteo Cococcioni [1]. [1] http://www.sissa.it/cm/thesis/2002/cococcioni.pdf