[Wien] problem with output file of lstart (fwd)
Lyudmila Dobysheva
lyu at otf.pti.udm.ru
Thu Nov 6 14:59:56 CET 2003
Hi, Natasha!
TOTAL CORE-CHARGE: 12.0006131112357
TOTAL CORE-CHARGE INSIDE SPHERE: 11.9836417715081
WARNING: 1.69713397276432D-002 CORE electrons leak out of
MT-sphere!!!!
Except of this leakage of the charge I didn't obtain anything bad after
lstart using your struct file. Try to delete the inst file and create it
again with the instgen command.
Best wishes
Lyudmila Dobysheva
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