[Wien] Electron density energy cut off
Pierre-Emmanuel Lippens
lippens at univ-montp2.fr
Fri Oct 22 10:56:19 CEST 2004
At 19:03 21/10/2004 +0200, you wrote:
>Dear wien users,
>
>is it possible to select not only a lower bound but also an upper bound of
>the energy in case.in2 for electron density calculation?
After the SCF cycle: x lapw2 with the the value of the lower bound (EMIN),
the option ALL in case.in2 (instead of TETRA) and the value of the upper bound.
Pierre
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