Error in qs_dispersion_nonloc when increasing cutoff to 2000 Ryd
lar... at lbl.gov
lar... at lbl.gov
Mon Nov 16 19:22:44 UTC 2015
Hi,
I am trying to run a water structure using the aug-TZV2P basis set and a PW
cutoff of 2,000 Ryd. I am using the mGGA B97M-V (through libxc) and the
RVV10 for non-local correlations. I've been able to run this calculation
for 600 and 1000 Ryds, but not for 2000. I get the following error:
*****************************************************************************
*** 11:08:55 ERRORL2 in qs_dispersion_nonloc:interpolate_kernel processor
***
*** 0 :: err=-300 condition FAILED at line 1260
***
*****************************************************************************
I am not sure whether I should adjust any of the parameters in the input
file because of the large cutoff. Any help would be highly appreciated. I
have attached a tar file with the inputs and outputs.
Best,
Luis
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