Dear All,
I am a new user of QE and interested to calculate the optical
absorption spectra in atomic level using TDDFT code. I have checked the
ecut & ecutfock convergence and also relaxed the structure. I can
understand so far what is going on. But when I am running turbo_lanczos.x
and turbo_davidson.x, I am getting output but how can I check that my
calculation is correct ??
After running turbo_davidson.x, I am getting a file named as "CH4.plot". If
I am plotting it using xmgrace, it is showing the x-axis in Ry scale but
that I want in eV ??
Thanks,
Prem
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