INFlection DETection method 3.48, by Axel van de Walle
-h Display more help (Default: Off)
-egt=[real] Epicycle Gradient Tolerance (Default: 0.04)
-ets=[real] Epicycle Trial Step (Default: 0.1)
-ems=[real] Epicycle Maximum Step multiplier (Default: 5)
-eml=[real] Epicycle Multiplier in Line minimization (Default: 2)
-ebl=[int] Epicycle maximum number of Bracketing steps in Line minimizations (Default: 5)
-eil=[int] Epicycle maximum number of Iterations in Line minimizations (Default: 3)
-eic=[int] Epicycle maximum number of Iterations in Conjugate gradient (Default: 20)
-ebf=[int] Epicycle motion Bad step Forgiveness (Default: 2)
-eir=[int] Epicycle iterations between conjugate gradient reset (Default: 5)
-el=[real] Epicycle Length (Default: 0.1)
-ism=[real] Ion motion Steepest descent Multiplier (Default: 0.003)
-isi=[int] Ion motion Steepest maximum number of Iterations (Default: 0)
-igt=[real] Ion motion Gradient Tolerance (Default: 0.1)
-its=[real] Ion motion Trial Step (Default: 0.005)
-ims=[real] Ion motion Maximum Step multiplier (Default: 5)
-iml=[real] Ion motion Multiplier in Line minimization (Default: 2)
-ibl=[int] Ion motion maximum number of Bracketing steps in Line minimizations (Default: 5)
-iil=[int] Ion motion maximum number of Iterations in Line minimizations (Default: 3)
-iic=[int] Ion motion maximum number of Iterations in Conjugate gradient (Default: 40)
-ibf=[int] Ion motion Bad step Forgiveness (Default: 2)
-iir=[int] Ion motion iterations between conjugate gradient reset (Default: 5)
-ics=[real] Ion motion Curvature constraint Stiffness (0=automatic) (Default: 30)
-ff=[real] Force scale Factor (Default: 3)
-ds=[int] Dimension of the strain relaxation allowed (0: none, 1: along x, 2: along y,z, 3:
along x,y,z (default))
-ns Do Not Scale tolerance with number of atoms (Default: Off)
-st=[int] Sleep Time between read access (Default: 5)
-d Use all default values (Default: Off)
-os Output Structure defined by epipos.out into str.out (Default: Off)
-r Relax to minimum (Default: Off)
For debugging only:
-db debug (Default: Off)
-aex Analytical Example (for debugging) (Default: Off)
-t1=[real] Temp param 1 (Default: 1.9)
-t2=[real] Temp param 2 (Default: -2)
avdw@alum.mit.edu Wed, Dec 6, 2023 12:55:16 PM