Dear all, I am trying to calculate optical properties for a spin polarized half-metal. x optic, x joint( with both options 6 & 4 as specified) all ran smoothly. Without intra-band i.e 0 in line 3, x kram ran smoothly also. However, when intra-band contribution is added by using '1' as input in line 3, x kram failed. Please, I need assistance to overcome this. Regards CMI Okoye
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg20348.html
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