Nice idea and possibly it would be interesting to see how Wien2k performs in
such an environment if it does at all.
But there is no need to wait for a box. For example:
Go to http://www.opensuse.org/ continue to http://software.opensuse.org/
Download the 64-bit (!) Version (DVD)
There are also
Dear Peter:
Thank for your help! but where can I find the NiO example?
By the way, how can I claculate the electron charge distribution in a unit cell
as a functionod z?(how ro integrated over the xy-plane?)
*
Pengfei GUAN
International
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For a case with 100 atoms/cell most likely you will have only 1 k-point,
thus k-point parallel is not possible, only mpi-parallel.
In case you have a metallic (magnetic) case, you may still have a few
k-points and than k-parallel is still most efficient, provided the
memory (RAM) is large enough
http://www.wien2k.at/events/ws2008/talks/Exercises_08.pdf
or in $WIENROOT/example_struct_files/coo.struct
pf.guan at imr.tohoku.ac.jp schrieb:
Dear Peter:
Thank for your help! but where can I find the NiO example?
By the way, how can I claculate the electron charge distribution in a unit
Dear Wien Users,
I have a question about electron density plots. How to write the name of atoms
on the picture of electron density in the program ? I know the software (for
example Coredraw) can do this. Who can write a shell bash program to gnuplot to
write the name of atoms?
Could you help
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