HI abiniters
whey the output files from density are different by TIM ?
I have 4 output files for density
t41o_TIM0_DEN
t41o_TIM1_DEN
t41o_TIM2_DEN
t41o_TIM3_DEN
TIM_DEN(0,1,2,3) in tutorial 4 ?
Moderator: bguster
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david.waroquiers
- Posts: 138
- Joined: Sat Aug 15, 2009 12:45 am
Re: TIM_DEN(0,1,2,3) in tutorial 4 ?
Hello,
The density file is created at each time step of the broyden minimization or molecular dynamic simulation. The one that you might be interested in is probably the last one (for which the atoms are relaxed).
David
The density file is created at each time step of the broyden minimization or molecular dynamic simulation. The one that you might be interested in is probably the last one (for which the atoms are relaxed).
David