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  • Posted a comment on discussion Elk Users on Elk

    Hi, Of course, you should take the value of energy from the last iteration written to the INFO.OUT file. As for the volume, you should run several calculations with different scale for the lattice vectors. See examples\basic\Cu example. Best regards, Anton F.

  • Posted a comment on discussion Elk Users on Elk

    Hello, Mukul, This seems to be a very interesting possibility! But it is a little bit strange for me that it is free as cloud computing is generally paid. Could you comment on who and why is financing this project? Best regards, Anton F.

  • Posted a comment on discussion Elk Users on Elk

    Hi, Markus, No, I haven't tried to link against GotoBLAS/OpenBLAS/MKL, but it is...

  • Posted a comment on discussion Elk Users on Elk

    Hi, Markus and Harry, Markus, I would like to thank you for letting us to know about...

  • Posted a comment on discussion Elk Users on Elk

    Oh, indeed, I'm sorry :) Thank you, Kay.

  • Posted a comment on discussion Elk Users on Elk

    Hi, Kay, and everybody here! I just tried to check, which value of swidth Elk obtains...

  • Posted a comment on discussion Elk Users on Elk

    I don't quite understand: have you specified the coordinates of your special k-points...

  • Posted a comment on discussion Elk Users on Elk

    Hi, First of all, you have to decide, what do you need to calculate - densities of...

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antonfil
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2009-03-04 11:45:44

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