...I wasn't able to obtain reasonable results for Co3O4 with elk.
Therefore I've run an all-electron calculation with an uncontracted
basis set with ORCA, for the Co(CO)$_4$H complex.
Here are the results (Vzz component in Hartree/bohr^2):
atom ORCANCPPNC-semi PAW+NC PAW+US
Dear Sudha,
> Dear Experts
> I am trying to install Xcrysden software in ubuntu 16.04, I got the
just try:
sudo apt-get install xcrysden
Best Regards,
Matic
--
Matic Poberznik
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia
___
Pw_forum
Dear Experts
I am trying to install Xcrysden software in ubuntu 16.04, I got the
following error for ./xcryden command
/home/sudha/Downloads/XCrySDen/xcrysden-1.5.60/bin/xcrys: error while
loading shared libraries: libtk8.5.so: cannot open shared object file: No
such file or directory
When I