[Wien] request

[tran at theochem.tuwien.ac.at]

Hi,

For a parallel calculation (-p), the orbitals energies are printed
in case.energyup_1, case.energyup_2, etc. (the same for dn).


On Thu, 6 Feb 2014, Saleem Ayaz wrote:

> Dear users 
>  I run the scf for spin polarize calculation of Nd3Si1.25Se7 using GGA+U. 
> I used the command runsp_lapw -p -ec 0.00001 -orb and converged the energy. The calculations
> are completed but Nd3Si1.25Se7.energyup and  Nd3Si1.25Se7.energydn are empty. 
> Please help me what is the problem.
> 
>