Hello, I have been investigating using QE/TDDFPT/turboEELS to simulate EELS spectra. Thus far I have been able to reproduce the diamond plasmon spectrum using the example provided in Timrov et al.'s Computer Physics Communications paper.
My area of interest is not in the low-loss region, but rather in the ELNES of the core loss edges of Si, C, and O. From what I can tell turboEELS should be able to do this, but I am uncertain of where to begin. My initial attempt to increase the the 'end' parameter did not work to reproduce the core edge. Are there any examples/tutorials for core-loss spectra? All the examples in the TDDFPT folder end at 50 eV or below. Thank you, Josh Taillon -- Joshua Taillon Materials Science and Engineering University of Maryland - College Park e: [email protected] w: (301) 405-3314 www: www.joshuataillon.com _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
