<div dir="ltr">Dear developers and users,<div><br></div><div>I come across this problem when I try to study SiC system, where full relativistic PP of Si and non-relativistic PP of C are used. I can obtain perfect MLWFs in spinless case using 4 projections(sp3 orbitals of Si). But when the PP of SiI is substituted with a full relativistic one, the wannier90 code keeps complaining insufficient projections(the 4 sp3 projecitons now correspond an 8 projections in SOC calculation). </div>
<div><br></div><div>It seems Q.E. (I use 4.0.3 ) treats this mixed PP job as an spinless one as the weight of irr.kpoint in scf calculation doesn't halve as I expected. If this is true, how can I proceed to generate correct MLWFs with mixed non-relativistic and full relativistic PP, any suggestions would be highly appreciated. </div>
<div><br></div><div>Thank you in advance!</div><div><br></div><div>Xiaolong<br clear="all"><div><br></div>-- <br><div dir="ltr"><div>Xiao-Long Zhang<br></div><div><br><div>Ph.D student,<br><div>Institute of Physics, </div>
<div>Chinese Academy of Sciences</div><div>8 Nansanjie, Zhongguancun<br>Beijing 100190, China<br></div></div></div><div>Email: <a href="mailto:xlzhang@iphy.ac.cn" target="_blank">xlzhang@iphy.ac.cn</a> OR <a href="mailto:zgxolg@gmail.com" target="_blank">zgxolg@gmail.com</a></div>
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