[Wien] External electric field!

[zhao]

Dear all,

When I try to set the E-field to 10, the calculation go ahead.
Thank you for all your help.

Yong-Hong Zhao








在 2008-05-22四的 12:23 +0800，zhao写道：
> Dear Laurence and all,
> 
> Now I have converge the calculation without the E-field, and I have
> tried the following in0 file. But there is still the same error message.
> Anyone know what's my fault?
>  -----------------------------------------------------------------
>  TOT   13    (5...CA-LDA, 13...PBE-GGA, 11...WC-GGA)
>  NR2V      IFFT      (R2V)
>    0   0   0    2.00    min IFFT-parameters, enhancement factor
>  30   100
> -----------------------------------------------------------------
>  

> 
> 在 2008-05-21三的 17:31 -0500，Laurence Marks写道：
> > Basics: converge the calculation without the Efield first. Then turn
> > on the E-field but with sensible values -- you have asked for 1600
> > Ryd/Bohr !!!
> > 

> 
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