[Wien] What does it mean the commment " Unmatched " during SCF cycle

Abderrahmane Reggad jazairdz at gmail.com
Wed Nov 2 15:23:20 CET 2016


Thanks your Dr Xavier for your answer

It's just a mistake here

the command line is as follows:

runsp_c_lapw -orb -p -ec 0.0001

I note that the calculation ends without problem

Best regards
-- 
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Algerie
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