[Pw_forum] Problem with relaxing large system

Nkosinathi Malaza nuttymalaza at gmail.com
Fri Jul 17 09:17:12 CEST 2015


Dear All,

I need assistance with relaxing the system of Al and H2O, the system has
123 atoms with ESM=bc3. The input file runs until it crashes, what can be
the problem?

I have attached the output file.

Kind regards

N. Malaza
Wits University
Johannesburg
South Africa
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