Section MSST

• Parameters for Multi-Scale Shock Technique (MSST) which simulate the effect of a steady planar shock on a unit cell. Reed et. al. Physical Review Letters 90, 235503 (2003).

• Section path: CP2K_INPUT / MOTION / MD / MSST

• This section cannot be repeated and cannot be optional.

• Subsections

  • none

• Keywords

  • CMASS
  • ENERGY
  • GAMMA
  • PRESSURE
  • VOLUME
  • VSHOCK

• Keyword descriptions

  CMASS
  	CMASS REAL
  	Effective cell mass
  	This optional keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+00
  	Default unit: [m_e]

  ENERGY
  	ENERGY REAL
  	Initial energy
  	This optional keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+00
  	Default unit: [hartree]

  GAMMA
  	GAMMA REAL
  	Damping coefficient for cell volume
  	This optional keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+00
  	Default unit: [fs^-1]

  PRESSURE
  	PRESSURE REAL
  	Initial pressure
  	This optional keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+00
  	Default unit: [bar]

  VOLUME
  	VOLUME REAL
  	Initial volume
  	This optional keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+00
  	Default unit: [angstrom^3]

  VSHOCK
  	VSHOCK REAL
  	Velocity shock
  	This optional keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+00
  	Default unit: [s^-1m]
  	Alias names for this keyword: V_SHOCK