[CPMD-list] CPMD suggestion to avoid ODIIS resets

Alessandro Curioni cur at zurich.ibm.com
Tue Mar 18 14:48:58 CET 2003




You can  change the  periodicity of the  odiis reset using  the keyword
 ODIIS   NO_RESET=50

this is not documented in the manual, but you can check it from control.F

Regards, ALessandro





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