From NWChem
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3:41:52 PM PDT - Fri, Mar 27th 2015 |
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Hi,
I am trying to calculate the HOMO and LUMO energy levels for polmeric cation. I am getting below error:-
movecs_read_header: failed to open etmepyro1.movecs IERR = 1
DPlot: movecs_read_header failed 1
DPlot: movecs_read_header failed 1
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------------------------------------------------------------------------
current input line : DPlot: movecs_read_header failed 1
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------------------------------------------------------------------------
current input line : DPlot: movecs_read_header failed 1
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------------------------------------------------------------------------ DPlot: movecs_read_header failed 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
Kindly let me know what i need to do to resolve it.
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