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.
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html