[CP2K-user] Problems with INITIAL_VIBRATION

[Isaac Blanco]

Hello dear cp2k users 

I am currently doing AIMD, however I have had problems with versions 2.6.2 
and version 6.1.0 since I’m trying to modify the kinetic energy using 
keywords.


&INITIAL_VIBRATION

   PHASE 0.25

   VIB_EIGS_FILE_NAME  “FILENAME”

&END INITIAL_VIBRATION


In version 2.6.2 when making the VibAn necessary to obtain the .eig file I 
only get the .mol ​​and this version does not allow me to use the .eig 
calculated in version 6.1.0. i attach my input file and my error.


Is there any way to force the program to get the .eig or use .mol ​​instead?


in version 6.1.0 there is no error but in the dynamics you cannot see a 
change in the kinetic energy.


Is there a problem with this version for the INITIAL_VIBRATION keyword or 
is there any other way to indicate this modification in kinetic energy?


I would greatly appreciate your comments and help to solve this problem, 
thanks in advance.


Isaac Blanco. 
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***********************************************************************
 *** 09:02:44 ERRORL2 in input_parsing:section_vals_parse :: unknown ***
 *** subsection INITIAL_VIBRATION of section MD                      ***
 ***********************************************************************


 Looking for words in the input similar to the unknown:
   'INITIAL_VIBRATION'

   keyword ITERATION in section %__ROOT__%MOTION%PINT
   subsection MOTION in section %__ROOT__
   subsection INIT in section %__ROOT__%MOTION%PINT
   keyword UNITS in section %__ROOT__%FORCE_EVAL%EXTERNAL_POTENTIAL
   keyword UNITS in section %__ROOT__%FORCE_EVAL%MIXED%GENERIC
   keyword FRACTION in section %__ROOT__%FORCE_EVAL%DFT%TDDFPT%XC%HF
   keyword FRACTION in section %__ROOT__%FORCE_EVAL%DFT%TDDFPT%XC%WF_CORRELATION%RI_RPA%HF
   keyword FRACTION in section %__ROOT__%FORCE_EVAL%DFT%XC%HF
   keyword FRACTION in section %__ROOT__%FORCE_EVAL%DFT%XC%WF_CORRELATION%RI_RPA%HF
   keyword UNITS in section %__ROOT__%FORCE_EVAL%DFT%EXTERNAL_POTENTIAL
   keyword INITIAL_WFN in section %__ROOT__%FORCE_EVAL%DFT%REAL_TIME_PROPAGATION
   keyword UNITS in section %__ROOT__%FORCE_EVAL%MM%FORCEFIELD%NONBONDED%GENPOT
   keyword UNITS in section %__ROOT__%FORCE_EVAL%MM%FORCEFIELD%NONBONDED14%GENPOT
   keyword UNITS in section %__ROOT__%FORCE_EVAL%QMMM%FORCEFIELD%NONBONDED%GENPOT
   keyword UNITS in section %__ROOT__%FORCE_EVAL%QMMM%FORCEFIELD%NONBONDED14%GENP