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["Wu Rongqin" <g0203654@nus.edu.sg>]

to handicaps prevent you from performing full bandstructure gw calculation:
1, of course the time. Even single point may take you several hours.
2, not all points you define in the input file can be calculated. There is a 
restriction on the point, due to symmetry.
Regards
 Rongqin Wu

-----Original Message-----
From: quantumfancy@hotmail.com [mailto:quantumfancy@hotmail.com] 
Sent: 2004年4月22日 23:33
To: forum@abinit.org
Subject: [abinit-forum] About GW

Dear all,

I am conducting electronic structure calculation on BP.In my works,Hamann 
scheme norm-conserving pseudopotentials are used,together with the 
Perdew-Burke-Ernzerhof generalized gradient approximation(GGA) is adopted.I 
obtain an indirect gap of 1.28 eV.As expected,it differs significantly from 
the experimental value about 2.0 eV.

It seems that the GW approximation may be a better choice.I have gone through 
the sixth lesson of tutorial and Test_v3/t30.in and t31.in,but in these 
examples,only the band gaps and GW corrections of some specific k-points are 
given.My question is whether I can employ the GW approximation implemented by 
Abinit to calculate the entire band structure?Any help would be greatly 
appreciated. 

Many thanks,

Li Huang