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GOType
GOType
Section Calculation Modes::Geometry Optimization
Type flag
Default ions
This variable defines which parameters are allowed to change during the optimization.
Multiple options can be chosen e.g. “ions + cell_shape”
Options:
- ions:
Relax position of ions
- cell_shape:
Relax cell shape
- cell_volume:
Relax cell volume
Source information
main/geom_opt.F90 : 266
call parse_variable(sys%namespace, 'GOType', OPTION__GOTYPE__IONS, g_opt%type)