[CP2K-user] MD print isse

[Weiwei Sun]

Hi all, 

I got another stupid question about the print of MD output, and please find 
the attached tags controlling the prints.
"
&PRINT 
&FORCES ON 
&END FORCES 
&TRAJECTORY 
!!LOG_PRINT_KEY T 
&EACH 
MD 1 
&END EACH 
!! ADD_LAST NUMERIC 
&END TRAJECTORY 
&VELOCITIES 
!! LOG_PRINT_KEY T 
&EACH 
MD 1 
&END EACH 
!!!ADD_LAST NUMERIC 
&END VELOCITIES 
&RESTART_HISTORY 
&EACH 
MD 500 
&END EACH 
&END RESTART_HISTORY 
&RESTART 
BACKUP_COPIES 3 
&EACH 
MD 1 
&END EACH 
&END RESTART 
&END PRINT 
&END MOTION"

While, after 6 scf iterations (presumably, 1 scf after each ionic MD step), 
I cannot see the xyz, and ener files. What do you think? In priciple, I 
should have 6 steps MD data...
Thanks!
Weiwei


SCF PARAMETERS Density guess: ATOMIC 
Outer loop SCF in use
SCF WAVEFUNCTION OPTIMIZATION 
*** SCF run converged in 37 steps *** 
outer SCF iter = 1 RMS gradient = 0.32E-07 energy = -4080.5536850832 
outer SCF loop converged in 1 iterations or 37 steps 
SCF WAVEFUNCTION OPTIMIZATION 
*** SCF run converged in 37 steps *** 
outer SCF iter = 1 RMS gradient = 0.32E-07 energy = -4080.5539779630 
outer SCF loop converged in 1 iterations or 37 steps 
SCF WAVEFUNCTION OPTIMIZATION 
*** SCF run converged in 37 steps *** 
outer SCF iter = 1 RMS gradient = 0.32E-07 energy = -4080.5533911133 
outer SCF loop converged in 1 iterations or 37 steps 
SCF WAVEFUNCTION OPTIMIZATION 
*** SCF run converged in 37 steps *** 
outer SCF iter = 1 RMS gradient = 0.31E-07 energy = -4080.5538012188 
outer SCF loop converged in 1 iterations or 37 steps 
SCF WAVEFUNCTION OPTIMIZATION 
*** SCF run converged in 37 steps *** 
outer SCF iter = 1 RMS gradient = 0.32E-07 energy = -4080.5535685645 
outer SCF loop converged in 1 iterations or 37 steps 
SCF WAVEFUNCTION OPTIMIZATION 
*** SCF run converged in 37 steps *** 
outer SCF iter = 1 RMS gradient = 0.32E-07 energy = -4080.5537216940 
outer SCF loop converged in 1 iterations or 37 steps 
SCF WAVEFUNCTION OPTIMIZATION
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