Hei,
You can also add keyword
dftb_telec=100.0
to enhance Qm convergence (fermi distribution of electrons with
temperature 100K).
Terveisin, Markus
--www=
http://www.iki.fi/markus.kaukonen
--Markus.Kaukonen.iki.fi
--office: N102 Nano building FIN-02015 TKK
--home: Viinirinne 3 F 12, 02630 Espoo, FIN
--tel: h 045-1242068, w 4518694, 050-5112785
--Rikos ei kannata, eika maatalous
--Suomessa. (Paimio 1998) ---
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Received on Wed Mar 31 2010 - 12:00:02 PDT
