[Wien] Calculating x kram with intra-band contribution

 

Chukwuemeka Okoye Sat, 08 Aug 2020 16:25:53 -0700

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