[Pw_forum] cholesky decomposition

alan chen chenhanghuipwscf at gmail.com
Fri Jul 11 22:59:58 CEST 2008


Dear PWSCF users,
     When I calculate a large system (320 atoms in the super cell), I get
the following error message:
      from  pzpotrf  : error #       452
      problems computing cholesky decomposition
      I calculate the same system with fewer atoms, there is no such
problem. Is it because the system becomes too large? What is the maxmium
number of atoms in the super cell PWSCF can calculate stably?
      Thank you very much.

Hanghui
Department of Physics
Yale University
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080711/f7ab28c4/attachment.htm 


More information about the Pw_forum mailing list