[DFTB-Plus-User] Electric field strength value

HAJNAL Zoltán hajnal at mfa.kfki.hu
Fri Mar 6 09:23:51 CET 2015


Dear Sharma,

the NIST value is "1 atomic unit of electric field" expressed in V/m,
while the cited manual value can be understood as "1 V/m" expressed in
atomic units.

As the numerical values are reciprocal, the difference in the orders of
magnitude
will be double the exponent's absolute value.

Best, z

On 6 March 2015 at 05:33, SRKC Sharma Yamijala <sharmajncasr at gmail.com>
wrote:

> Hi,
>
> I found the electric field strength value given in the manual and recipes
> and the value from CODATA are not matching  (difference in10^22 orders).
>
> Value given by CODATA is given below:
> http://physics.nist.gov/cgi-bin/cuu/CCValue?auefld|ShowFirst=Browse
> 5.142 206 52 x 1011 V m-1
>
> Value given in DFTB+ manual is:
> 0.194469063788953E-11
>
> Please clarify.
>
> Thanking you for your help,
> Sincerely,
> Sharma.
>
>
>
>
>
>
> ********************************************************
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> *Prof. Pati'*s group,
> Chemistry and Physics Materials unit,
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