ABINIT Discussion Forums

Posted: **Thu Oct 07, 2010 5:26 pm**

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

Posted: **Thu Oct 07, 2010 11:01 pm**

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

ABINIT Discussion Forums

TIM_DEN(0,1,2,3) in tutorial 4 ?

TIM_DEN(0,1,2,3) in tutorial 4 ?

Re: TIM_DEN(0,1,2,3) in tutorial 4 ?