[Wien] Slow convergence of charge

[Lyudmila Dobysheva]

On 22.12.2014 08:18, Shafqat Hussain Shah wrote:
> Just want to update the status of my calculation.
> a>  runsp_lapw -p -i 999 -ec 0.0001 -cc 0.05 -NI  ===>>>(converged after
> 27 iterations)
> b> Changed  MSR1 to MSR1a in case.inm and ran as
>      runsp_lapw  -p -i 999 -ec 0.0001 -cc 0.001 -fc 0.5 -NI ====> (No

1. Why here you did -NI ? (from despair, I want to absolutely be sure: 
have you made saving and removing the broyd files? Though at first 
glance I'd say that it should not affect the MSR1a procedure.)

2. In the meantime, while Prof.Blaha examines, could you send me your 
:DIS, :ENE, :FRMS and :MM of some magnetic atom from the scf file.

Best regards
   Lyudmila Dobysheva
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