how make value of HOMO - LUMO gap higher?
riesk... at gmail.com
Fri Apr 8 08:32:23 CEST 2016
hi... i more help... help me please
i just install 2.6.1 version of cp2k.
but i get small value of band gap. what should i do with it?, i have run
the same molecule before. and i got 1,7eV(but i input ADDED_MOS in section
SCF but in new version i just get 0,04eV. if i give added_mos, i not get
the band gap value
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