Alter error in RASSCF


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Posted by Mingwei Wang on June 18, 2005 at 16:23:17:

Hello everyone,
Using the keyword "ALTER" in a RASSCF calculation I want to change the ordering of MO in the former SCF output. But the following error occurs:
READIN: Unrecognized command:ALTE
--- Stop Module: rasscf at Sat Jun 18 07:16:32 CST 2005 /rc= 16 ---
Non-zero return code - check program input.
--- Stop Module: automolcas at Sat Jun 18 07:16:33 CST 2005 /rc=16 ---
why?

The input related is this
&RASSCF &END
TITLE
RAASCF of Ti2Cl9 for 1-1
Frozen
36 27
Inactive
16 12
RAS1
5 3
RAS2
4 5
Symmetry
1
Spin
1
Ciroot
6 6
1 2 3 4 5 6
1 1 1 1 1 1
Nactel
2 0 0
deleted
20 20
iterations
200 200
Lumorb
ALter
5
1 52 54
1 58 62
2 43 49
2 44 50
2 45 48
End of Input
Thanks for your attention!


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