Navigation :
Manual
Input Variables
-
Atomic Orbitals
-
Calculation Modes
--
Geometry Optimization
--- GOCenter
--- GOConstrains
--- GOFireIntegrator
--- GOFireMass
--- GOLineTol
--- GOMaxIter
--- GOMethod
--- GOMinimumMove
--- GOObjective
--- GOStep
--- GOTolerance
--- PDBGOConstrains
--- XSFGOConstrains
--- XYZGOConstrains
--
Invert KS
--
Optimal Control
--
Test
--
Unoccupied States
-- CalculationMode
-
ClassicalParticles
-
DFTBPlusInterface
-
Execution
-
Hamiltonian
-
Linear Response
-
Math
-
Maxwell
-
MaxwellStates
-
Mesh
-
Output
-
SCF
-
States
-
System
-
Time-Dependent
-
Utilities
-
Alphabetic Index
Tutorials
Developers
Releases
GOTolerance
GOTolerance
Section Calculation Modes::Geometry Optimization
Type float
Default 0.001 H/b (0.051 eV/A)
Convergence criterion, for stopping the minimization. In
units of force; minimization is stopped when all forces on
ions are smaller than this criterion, or the
GOMinimumMove is satisfied. If GOTolerance < 0 ,
this criterion is ignored.
Source information
main/geom_opt.F90 : 346
call parse_variable ( sys % namespace , 'GOTolerance' , CNST ( 0.001 ), g_opt % tolgrad , units_inp % force )
Featured in chapters of the manual: