Notes on Thermal Code

Input Namelist

Specification

Namelist &SYSTEM

  • filinput
    • type: CHARACTER (32)
    • default: input01
  • filelast
    • type: CHARACTER (32)
    • default: elast.dat
  • filout
    • type: CHARACTER (32)
    • default: out

Namelist &CONTROL

  • nW: order of fitting while doing BMF fitting.
    • type: INTEGER
    • default: 3
  • Nwr: order of fitting while doing modegamma fitting.
    • type: INTEGER
    • default: 3
  • dt
    • type: REAL
    • default: 10
  • nt: number of temperature to be calculated (nt < mxdt).
    • type: INTEGER
    • default: 300
  • ntv: number of volume / pressure to be calculated (ntv < mxdv).
    • type: INTEGER
    • default: 450
  • pmin
    • type: REAL
    • default: -4.0
  • dp
    • type: REAL
    • default: 0.10
  • xomin: minimum strain
    • type: REAL
    • default: -0.2
  • dxo
    • type: REAL
    • default: 0.005

Example (settings.nml)

Thermo settings

&SYSTEM
    filelast = 'elast.dat'
    filout = 'out'
    filinput = 'input01'
/

&CONTROL
    nw = 3
    Nwr = 3
    dt = 10
/