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Other two minor bugs in DOS

Posted: Fri Mar 27, 2015 12:05 pm
by javad
Dear Davide

thank you for correcting the bug in the DOS.
I report you other two minor bugs in the DOS, that are not so important:

1) when you calculate the DOS with QP and RIM the Fermi energy is wrong,
but this it is not a big problem I shifted the DOS again in my plots

2) when you calculate the DOS in spin polarized system the normalization is different,
there is a factor 2 more, but also in this case I divided by 2 when I plot the DOS and I want to compare
with the non spin-polarized case

with best regards
Javad

Re: Other two minor bugs in DOS

Posted: Fri Mar 27, 2015 5:22 pm
by Davide Sangalli
Dear Javad,
thanks again for the feedback.

Regarding the Fermi level, I had already noticed that. Yambo sometimes shifts it to zero, so also the DOS with QP corrections maybe shifted.
However being a total energy shift, it is meaningless ... so we will leave it as it is for the moment.

Instead I fixed the normalization factor for the DOS in between the two cases. The run with-out spin polarization was wrongly divided by two.
The output is without units, so it was not a real error, but at least now it is consistent in between the calculations with and without spin.
Please check it and let us know in case of problems.

D.

Re: Other two minor bugs in DOS

Posted: Sat Mar 28, 2015 10:22 pm
by javad
Thank you

Javad