[molpro-user] visualization of natural orbitals
SIMIL THOMAS
simil at postech.ac.kr
Wed Sep 11 09:42:57 BST 2013
Hello,
I have to plot natural orbitals, But I am getting the following error.
How I can apply patch to molpro 2010 ?
?ERROR IN GET_DUMP: EIG SET= 1 NOT FOUND IN RECORD 2102.2
THE RECORD CONTAINS THE FOLLOWING MP2 DATA:
DENSITY/CHARGE SET= 1 STATE= 1.1 MS2=0 NELEC= 10
ORBITALS/NATURAL SET= 1 STATE= 1.1 MS2=0 NELEC= 10
OCC/NATURAL SET= 1 STATE= 1.1 MS2=0 NELEC= 10
GLOBAL ERROR fehler on processor 0
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