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

Abderrahmane Reggad jazairdz at gmail.com
Wed Nov 2 14:24:13 CET 2016


Thanks Dr Assmann for your quick reply

I repetad the calculation and I same problem and I want to note that I
modified the optimization script as follows:

runsp_c_lapw -orb -o -ec 0.0001

Perhaps it's related to the use of "runsp_c_lapw " because it's the first
time I used it

I want to know if it's just a remark or an error.

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