[CPMD-list] external potential

GU ZHIHUI zhihui.gu at chemail.tamu.edu
Fri Sep 15 04:50:42 CEST 2006


Hello, CPMD Users,
 
Could anyone please tell me how to specify the external potential? My system
is the cathode nanocatalyst.  The manual says Read an External Potential(EP)
from file as Keyword of External Potential is used, which file is the EP
from? How to define the magnitude of EP?
 
Many thanks!
 
Zhihui Gu

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