I am performing optical properties with few compounds. I have done the SCF calculation at gamma successfully. also i have done the lanzos.x and spetrum.x files but I am getting only Chi with omega(Ry). how do i get absorption spetra with respect to wave number? kindly suggest me correct path. Thanks in advance best regards -- Amreen Bano Department of Physics, Barkatullah University, Bhopal-462 026 INDIA +91-9993515955 [email protected]
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