[DFTB-Plus-User] Max Number of Atoms
Marcelo Zimmer
mzsflores at gmail.com
Mon Oct 6 20:47:07 CEST 2008
Hello all DFTB+ users,
I`d like to know what is the maximum number of atoms that DFTB+ can carry on
calculation for a molecule. I`m trying to compute approx. 8,000 atoms and
I`m having unexpected error during the first SCC cycle. I`m trying to run
this job under 8 Intel(R) Xeon(R) CPU E5420 @ 2.50GHz with 16Gb of RAM.
Thank you in advance,
Marcelo Zimmer
--
===================================================
Marcelo Zimmer S. Flores
(PhD Physics Student)
Address:
Universidade Estadual de Campinas - UNICAMP
Instituto de Fisica Gleb Wataghin - IFGW
Grupo de Solidos Organicos e Novos Materiais - GSONM
Departamento de Fisica Aplicada (DFA) - Room 61
Campinas - Sao Paulo - Brazil
13083-970
Caixa Postal: 6165
zimmer at ifi.unicamp.br
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