5.5 Activating the Database Structure Importer
USPEX can now import structures directly from the DAICS database (www.daics.net) to improve the initialization and continuation of structure prediction calculations. This feature is enabled using the fracDB parameter in INPUT.txt. USPEX will import the specified fraction of structures from the DAICS database for the target material. If no matching structures are available, USPEX automatically falls back to random symmetric structure generation.
Current limitations
This feature is currently available only for:
Regimes 300 and 301
Unary and binary systems
Parameter description
\(\triangleright \) variable fracDB
Meaning: Fraction of structures imported from the database in each generation.
Default: 0.0
Format:
0.10 : fracDB
This imports 10% of the structures in each generation from the DAICS database.