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<div>Hi Suza,</div>
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<div>there are two places in the code which you would need to modify to be able to use a different angular momentum than the default. Dont be scared though, they are fairly easy to understand and modify:</div>
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<div>espresso/flib/set_Hubbard_l.f90</div>
<div>tells which angular momentum to use for each atom type (very transparent: Hubbard_l 2 is for d and 1 is for p)</div>
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<div>espresso/PW/src/tabd.f90</div>
<div>tells how to distribute initial occupation on the Hubbard projector states </div>
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<div><span style="font-size: 10pt;">Change these files to your wish and re-make pw and you will be set.</span></div>
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<div>best,</div>
<div>emine kucukbenli, postdoc at theos, epfl, switzerland</div>
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