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GW and Elk

Elk Users
  • What is the current status of GW calculations in Elk? Is it possible to use some development version, etc?

    Also, I was wondering whether it is possible to use the ground state calculated in Elk in GW computations easily? If it is possible, probably there is some manual/forum discussion, etc?

    There are couple GW codes available on the interenet. For instance, berkeleyGW looks quite promising. It is designed as specialized code for GW only and it should be possible to use it as a postprocessor for Elk results. I will try to implement it myself (there are examples of how to import ground state results from some other codes), but probably I am not the first one who has this idea and this is done by someone?

  • At the moment we do not have GW implemented. We have no one working on it either. Right now we have used up all our funds to employ students/post-docs and have no more money left to employ anyone new to do GW in ELK.

    It would be GREAT if you would implement it or make an interface. I would personally provide all the help I could for this purpose.


  • If you are serious about it and want to discuss it you can come to the ELK conference in July this year.  Plus if your interface works we can arrange for you to come to Halle and discuss etc.

  • Thank you for your answer. It is not my main activity, so either I'll implement an interface and put result here on forum or give up if it is really time-consuming.

  • I am quite happy to consider anything. Right now I have not got people power. I can provide W(G,G',q,w) so if some one is interested in interfacing/implementing please go for it.