hi there,
I see there is two sets of dielectric function data available in the output of LOPTICS runs with vasp.5.4.4. There is the density-density response, and the current-current response both in the independent particle picture. The output from both are different by 10% from the cases I've looked at so far (liquid Al). Can someone comment on the the different treatments or point me to a reference that explains the two approaches.
thanks!
LOPTICS output with vasp.5.4.4
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Re: LOPTICS output with vasp.5.4.4
Hi there,
I also got curious about it and would like more information as well.
Just in case, i run just a semiconductors ( ZnO) and got it quite different as well. Depending on the calculation i got lots of 'NaN' and the number does not match at all (like, 1000% off the density-density value) or zeros and negative number (Imag) and, two values close to originals and the rest ~1.
I also got curious about it and would like more information as well.
Just in case, i run just a semiconductors ( ZnO) and got it quite different as well. Depending on the calculation i got lots of 'NaN' and the number does not match at all (like, 1000% off the density-density value) or zeros and negative number (Imag) and, two values close to originals and the rest ~1.