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RWIGS and PAW

Posted: Mon Mar 05, 2007 11:31 pm
by aarondesk
How are RWIGS values determined for the PAW potentials? Does RWIGS just correspond to the core radius?

Thank you,
Aaron

RWIGS and PAW

Posted: Thu Mar 08, 2007 10:06 am
by admin
for the PAW PPs, RWIGS is chosen such that the neighboring shperes do not overlap in the bulk ground state phase of the respective element.

RWIGS and PAW

Posted: Thu Mar 08, 2007 4:18 pm
by aarondesk
Thank you. That clears up the confusion.