Dear prof. Blaha,<br><br>I found that the EFIELD variable in case.in0 (WIEN2k v09.1 & v08.3) produces an analytic <br>triangular ramp 'zig-zag' variation of an external potential that varies from +EFIELD/2 to <br>
-EFIELD/2 within a unit cell. <br><br>Am I right that the electric field is then equal to 2 EFIELD/c (where c is the lattice constant<br>along z-direction) ?<br><br>Does it not mean that in your previous discussion from May 23, 2008, please see below,<br>
the values of the electric field is two times the 173 kV/mm and not four times? <br><br>With the best regards,<br>Martin Gmitra<br><br><br>Fri May 23 08:29:30 CEST 2008<br><br>You must multiply by 4 ! (because field varies from +100 to -100 and<br>
since it is a zig-zag, it varies in half the period)<br><br>zhao schrieb:<br><br>> Dear Prof. P. Blaha,<br>><br>> In your paper, PRB-63-165205(2001), you say that external potential<br>> 100mRy corresponds to 700 kV/mm. When I tried to get this unit<br>
> transformation, I was confused by something. The following is my<br>> problem.<br>> --------------------------------------------------<br>> c=8*sqrt(3)*a0<br>> a0=5.65 Angs<br>> Efield= 0.1Ry/c=0.1*13.6V/(8*sqrt(3)*a0)= 173 kV/mm<br>
> --------------------------------------------------<br>><br>> I cannot get 700 kV/mm. Can you tell me what's wrong with myself?<br>> Thank you very much.<br>><br>><br>> Best wishes,<br>><br>> Sincerely,<br>
> Yong-Hong Zhao<br>