[Wien] Force convergence within SCF cycle

[Stefaan Cottenier]

>>If you would remove the -I and put FOR manually right from the start,
>>you would see the number converging to 81 directly, but it would take an
>>unnecessary amount of extra computer time in lapw2.
>>    
>>
>
>Do you mean ~>min -i 100 -s 10 -j 'run_lapw -FOR -i 40 -fc 1.0 '?
>
>  
>
No, ~>min -i 100 -s 10 -j 'run_lapw -i 40 -fc 1.0 ', but with TOT 
changed to FOR in the file case.in2(c) *before* you give the 'min' command.

Stefaan




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