[Pw_forum] Fermi energy

Paolo Giannozzi giannozz at nest.sns.it
Wed Jan 19 15:53:10 CET 2005


On Wednesday 19 January 2005 14:53, Ben Hope wrote:

> With one input file I get the error
> [...]
> from cdiaghg : error #        48
> [...]
> Whereas with a very similar input file, I get no such error.

this kind of error is discussed in the manual, in the "Troubleshooting"
section, under "pw.x stops with error in cdiagh or cdiaghg". 
Unfortunately, sometimes the only solution is to use a different
diagonalization algorithm

Paolo



More information about the Pw_forum mailing list