I accidentally set up a run with mixed PAW and USPP potentials (Al with PAW, Cu with USPP). The jobs ran nicely and gave me some good-looking physical results. However, when I noticed that the potentials were mixed, I became suspicious. I am rerunning the jobs with USPP only potentials, but in the meantime, I would like to know whether or not mixing potentials in this way is a serious problem or not, from a physics standpoint.
-ct
PAW with USPP
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cdt9f
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PAW with USPP
Last edited by cdt9f on Fri May 02, 2008 3:37 pm, edited 1 time in total.
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admin
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PAW with USPP
please never mix potentials of different type.
Last edited by admin on Mon May 05, 2008 1:55 pm, edited 1 time in total.