Dear All
I am doing initialization but I got the following problem, please help me
in this regard.
Sikander
:WARNING: 2.424 Au CORE electrons leak out of MT-sphere !!!!
:WARNING: touch .lcore and run scf-cycle with core density superposition
:WARNING: Or: rerun lstart with lower E-core separation energy
:WARNING: 2.424 Au CORE electrons leak out of MT-sphere !!!!
:WARNING: touch .lcore and run scf-cycle with core density superposition
:WARNING: Or: rerun lstart with lower E-core separation energy
:WARNING: 2.424 Au CORE electrons leak out of MT-sphere !!!!
:WARNING: touch .lcore and run scf-cycle with core density superposition
:WARNING: Or: rerun lstart with lower E-core separation energy
:WARNING: 1.239 Ag CORE electrons leak out of MT-sphere !!!!
:WARNING: touch .lcore and run scf-cycle with core density superposition
:WARNING: Or: rerun lstart with lower E-core separation energy
:WARNING: 1.239 Ag CORE electrons leak out of MT-sphere !!!!
:WARNING: touch .lcore and run scf-cycle with core density superposition
:WARNING: Or: rerun lstart with lower E-core separation energy
LSTART ENDS
1.399u 0.062s 0:06.52 22.2% 0+0k 2144+3168io 10pf+0w
WARNING: 2.424 Au CORE electrons leak out of MT-sphere !!!!
WARNING: 2.424 Au CORE electrons leak out of MT-sphere !!!!
WARNING: 2.424 Au CORE electrons leak out of MT-sphere !!!!
WARNING: 1.239 Ag CORE electrons leak out of MT-sphere !!!!
WARNING: 1.239 Ag CORE electrons leak out of MT-sphere !!!!
check case.outputst how much core charge leaks out
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