[Pw_forum] Two vacuum energies with dipole correction

Ali KACHMAR kachmar_ali at hotmail.fr
Mon Apr 15 12:27:15 CEST 2013


Dear Joshi,

>Thanks a lot for your reply.

>The work function value that I get without the dipole correction is 4.9 eV 
>and the with dipole correction I get 5 eV and 4.8 eV if I take lower and higher potential value


>in the vacuum region. 

>And I couldn't follow what you meant by 'without mixing_mode'.

>Won't the code take the default mixing_mode? 

yes, but the default is different from what have you used!

>And how does it help in this case?









 		 	   		  
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