[Pw_forum] projwfc.x cannnot recognize pseudo-potential with semi-core states

[李云海]

Dear all,

I ran into a problem when calculating the projected density of states (PDOS) for MoS2 using projwfc.x. In the output only the projection on the atomic states of S atoms were reported. The projection on Mo atoms were missing. 

The pseudo-potential I used for Mo was obtained from http://www.quantum-espresso.org/wp-content/uploads/upf_files/Mo.pbe-sp-hgh.UPF, which contained semi-core states. May this be the reason? How to deal with it?

Many thanks in advance.


Yunhai Li
Department of Physics, Southeast University, P.R.C.
 		 	   		  
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20141118/b79f6552/attachment.html>