like using the formula of Galitskii-Migdal for total energy?
Thanks a lot.
Search found 3 matches
- Thu Jan 24, 2013 7:41 pm
- Forum: Many-body perturbation theory
- Topic: Is there any plan on total energy from GW
- Replies: 0
- Views: 1988
- Wed Jul 28, 2010 6:35 pm
- Forum: Configuring and compiling ABINIT
- Topic: statically link libraries
- Replies: 2
- Views: 3666
Re: statically link libraries
I would like to compile abinit with statically linked libraries. I used the following configuration options ./configure --prefix=$HOME/program/abinit --program-suffix="-mpi" --enable-mpi --with-linalg-libs="-Wl,-rpath,/usr/local/intel-11.1.056/mkl/lib/em64t -Wl,--start-group /usr/loc...
- Mon Jul 26, 2010 5:30 am
- Forum: Link to other codes
- Topic: MgO & CaO pseudotentials
- Replies: 5
- Views: 6009
Re: MgO & CaO pseudotentials
I'm actually using the PAW pseudopotentiels given here : http://www.wfu.edu/~natalie/papers/pwpaw/periodictable/periodictable.html , with the GGA form. I've also tried to create my own pseudopotentials with Atompaw. For example for the Mg, I've created a pseudo like that : -Valence electrons : 3s o...