[Wien] Using option Qsplit=6 in qtl to rotate to get t2g and eg

Wasim Raja Mondal wasimr.mondal at gmail.com
Wed Mar 25 18:49:53 CET 2020


Dear expert,
                   I am trying to project out t2g and a1g states of V d
orbitals. For that I want to use qtl program for DOS calculation. I am
chosing QSPLIT=6 for unitary transformation. For that I copied templet as
case.cf_d_eg_t2g .

Can you please suggest me how can I proceed next?



Thanks
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