Author Topic: pseudopotential  (Read 3759 times)

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Offline Abe

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pseudopotential
« on: February 8, 2011, 05:55 »
sir,
    while executing the program(GNR) i got pseudopotential error.could you give the information about pseudopotential of carbon in ATK,VASP.

Offline Anders Blom

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Re: pseudopotential
« Reply #1 on: February 8, 2011, 09:54 »
If you get a pseudopotential error in ATK, for carbon, you must be using some very specific parameters. Please attach the input script.