[Wien] Calculating x kram with intra-band contribution

[Tran, Fabien]

Hi,

What is the error message (either on the screen or in kram.error)??



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From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Chukwuemeka Okoye <cmi.okoye at unn.edu.ng>
Sent: Sunday, August 9, 2020 10:59 AM
To: A Mailing list for WIEN2k users
Subject: [Wien] Calculating x kram with intra-band contribution


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 of inkram, x kram executed smoothly also. However, when intra-band contribution is added by using '1' as input in line  3 of inkram, x kram failed.
Please, I need assistance to overcome this.
Regards
CMI Okoye
------------------------------
Chukwuemeka M I Okoye
Department of Physics and Astronomy,
University of Nigeria,
Nsukka, Enugu State,
Nigeria
Telephone: +234 7038766990
E-mail: cmi.okoye at unn.edu.ng<mailto:cmi.okoye at unn.edu.ng>
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