The CP2K project : input section 2PNT

Section 2PNT

Index of all sections. This section is located at __ROOT__%MOTION%SHELL_OPT%CG%LINE_SEARCH%2PNT.

Provides parameters to tune the line search for the two point based line search. This section can not be repeated and can be optional.

Subsections

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Section keywords

Keyword descriptions

MAX_ALLOWED_STEP
MAX_ALLOWED_STEP {real}
Max allowed value for the line search step.
This optional keyword expects a real. Default unit: [internal_cp2k], default value: 2.5000000000000000E-01 internal_cp2k


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