yambo-code / yambo

This is the official GPL repository of the yambo code
http://www.yambo-code.eu/
GNU General Public License v2.0
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Search for Fermi level fails with many bands #65

Closed sangallidavide closed 5 months ago

sangallidavide commented 5 months ago

See this post from user in the forum

https://www.yambo-code.eu/forum/viewtopic.php?t=2568&sid=39567e6a5b38958e08a268ad2c73bdfe

The source might be this procedure:

   group_size=max(1,int(n_total_states/500))                            
   do i1=1,n_total_states,group_size                                    
     call ef2nel(Tel,E_sorted(i1),n_of_el_from_zero(1),'both ')         
     if (n_of_el_from_zero(1)<-nel_diff_zero) i_Ef(1)=i1                
     if (n_of_el_from_zero(1)> nel_diff_zero) then                      
       i_Ef(2)=i1                                                       
       exit                                                             
     endif                                                              
   enddo                                                                

since changing the total number of bands from 600 to 1000 group size changes from 1 to 2

sangallidavide commented 5 months ago

I tried and in my case the code works just fine. I suspect the issue was in the compilation or in something else. I close this.