Dear Helean,
Try to increase the meshcutoff to something more reasonable: 100-150 Ry
Regards,
Eduardo
On 02/06/2007, at 10:47, Mu J. Helien wrote:
Dear Siesta users,
I compiled the parallel version of siesta code sucessfully, but it
seems that it can't run normally with GGA method.
For the
Dear Siesta users,
I compiled the parallel version of siesta code sucessfully, but it
seems that it can't run normally with GGA method.
For the pseudopotential was generated by means of GGA-PBE method, I
defined XC.functional GGA and XC.authors PBE in the .fdf file.
But it can't work
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