Confusion: cation and anion move towards the same direction under an external electric field
Tonys_Yu
2922... at qq.com
Wed Jul 19 10:20:54 UTC 2017
Hello,
I want to study a ionic displacement in a bulk water box with 30
water molecules. External electric field is 0.1V/A, and added by
EXTERNAL_POTENTIAL command as below:
&EXTERNAL_POTENTIAL
FUNCTION (A/B)*X
PARAMETERS A B
VALUES [eV] 1.0 [angstrom] 10.0
&END EXTERNAL_POTENTIAL
What makes me confused is that both water molecules and K-ion are
moving along the negative direction of X. Moreover, when I changed the
K-ion by a Cl-ion or reduced the electric field to a smaller value
(0.001V/A), the same results was observed. It seems contrary to the fact
that, with the same electric field (value and direction), K-ion and Cl-ion
would move towards opposite directions.
I beg someone could shed light on my confusion. Necessary files have
been attached.
Tonys Yu
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