[DFTB-Plus-User] problem in HOMO-LUMO plot for nanowire

Bálint Aradi balint.aradi at bccms.uni-bremen.de
Wed Jan 5 13:05:42 CET 2011

Dear Supriya Saha,

> Doing initialisation
> !!! FAILED :   Pointer Array Allocation
> !!! ERR. NR.:  179
> !!! FILE:
> /a/server01/home1/aradi/sync/laptop/dftb_devel/noodle.trunk/tools/waveplot/src/gridcache.F90
> !!! LINE NR.:  145

  Probably, you run out of memory, since the program could not allocate
a given array any more. Please try to play with the NrOfCachedGrids
option or eventually reduce the number of points to be plotted. (Also,
it would be more advisable to use the current version of Waveplot,
namely 0.3).

  Best regards,


Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen

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