Error in NICS computation - hnd giaox: geom tag to element failed


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Gets Around
I don't have a solution but I have done a little digging. The code involved is under src/property. There appears to have been some copy-paste programming at work because hnd_giaox.F, hnd_giaox_zora.F, and hnd_spinspin.F all contain the line

errquit('hnd_giaox: geom_tag_to_element failed',0,GEOM_ERR)


After changing the error messages to be non-identical and recompiling, I see the problem with the benzene_nics test calculation actually appears to come from hnd_giaox_zora.F. This is a bit weird as I don't know why a non-relativistic calculation would end up in a file for ZORA.