[CPMD-list] Scratch array too small

Zak b.zarychta at phys.keele.ac.uk
Wed Jun 5 17:48:36 CEST 2002


Dear all,

I am trying too run a geometry optimisation on solid benzene.
 
The super cell consists of a tetramoleculkar unit of orthohombic dimensions I get the following error.

PROGRAM STOPS IN SUBROUTINE RGDIIS | SCRATCH ARRAY TOO SMALL.

Can anyone tell me how I might avoid this.

any help would be greatly appreciated,

Zak
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