Recent content by Gogo

  1. G

    Computational Can you suggest books that will help understand DOS graphs?

    (After two years - maybe someone else finds it useful) You may also want to use resources from MIT OCW or NPTEL courses like solid state physics etc. Maybe that will help.
  2. G

    I 2 basis sets, for which one is DFT calc faster?

    As Ben said, "Generally speaking" B would be faster. However, it should be noted that accuracy of a certain basis set truly depends on the system (molecule) you are dealing with. A larger basis set may not necessarily give more accurate results. You need to do your own tests of basis sets or...
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