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How can I read and modify the STATE.OUT file

slamdunker
2013-01-18
2013-11-07
  • slamdunker
    slamdunker
    2013-01-18

    How can I read and modify the STATE.OUT file
    I want to write the charge density of a dimer into STATE.OUT file as the simple addition of two isolated atoms. Can I do that and how? Thanks

     
  • Hi,

    This is probably not a good idea. STATE.OUT is really only meant to be written to and read from by Elk.

    Can you give me a better idea of what you'd like to calculate?

    Regards,
    Kay.