[Pw_forum] SCF calculations aborted

Paolo Giannozzi giannozz at democritos.it
Tue Sep 16 18:36:11 CEST 2008


On Sep 16, 2008, at 18:16 , ski2 at mail.uh.edu wrote:

>      CG style diagonalization

much slower than Davidson, FYI

>      from davcio : error #        10
>      error while reading from file
>
> Please let me know how to avoid this problem.

http://www.quantum-espresso.org/wiki/index.php/Troubleshooting_% 
28PWscf%29
item 1.12

Paolo
---
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222





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