[Wien] ETA in PORT

[Jack London]

Dear Laurence

I have problems about ETA in Port. 

Firstly, In the old version of Wien2K, ETA is ignored
by PORT. But in the new version, ETA is bond order
parameter. I don't know why you can do that? Is eta
not important parameter in the old version? 

Secondly, based on UG, Do you means if I constraint an
atom(DELTA(i)=0.0), I also should set ETA
approximately to the bond order (or left at 1.0) NOT
0.0? Right?

At last, If I set ETA=1.0, do you mean Mini programme
can find its band order? 

Thank you very much!

Best Regards

Zhang


		
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