You have to use the qtl program for that.
Please read the UG how to set the input.
And of course, you have to edit case.int manually and set the proper
column values.
On 03/02/2016 08:17 AM, Paresh Chandra Rout wrote:
Dear all,
I want to calculate PDOS in SOC case . I do not know how to set for the
various J-bands interactively like we are setting for the e-g and t-2g bands
by running *configure_int_lapw -b *. I searched in UG but did not find
there. Can anybody guide me how to set bands for SOC interactively ?
Any help would be highly appreciated.
w
Kind Regards
Paresh Chandra Rout
Research Scolar
Indian Institute of Science education and Research Bhopal
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