[molpro-user] Error in calculating Mn+ energy
hongxia_hao at brown.edu
Tue May 15 17:26:10 CEST 2018
Dear Molpro users,
I want to calculate the ground state energy of Mn+ (4s13d5) with molpro,
but it fails. Here are my input and error message.
But it returned me the error:
Molecular orbital dump at record 2100.2
? Cannot assign configuration. Please used closed directive
? The problem occurs in find_config
Does anyone know what the problem is?
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