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[Anurag Chaudhry <anuragchaudhry@yahoo.co.uk>]

Hi,

I am new to GW calculations though I have used ABINIT earlier.  I saw the tutorial on GW approximation and have few questions.

If I understand correctly, then it is only possible to run a GW calculation for a single k-point.  For example, GW calculations for Silicon in the tutorial are shown for Gamma point.  Since the bandgap of Si is ~1.2eV (as I know) and it is an in-direct bandgap material is there a way to get this right ?  The calculations at the end of tutorial show that the LDA gap at the Gamma point is ~253eV and GW correction adds about 0.63eV to this value.

I have to run calculations to determine bandgaps of certain Bi and Pb semiconductors with beyond LDA/GGA methods.  This is how I started looking at GW but I am not sure if this is the right approach.

Any comments and suggestions are welcome.

regards,
Anurag