[Wien] Question about the ERROR message from TETRA

[YOOSOO YI]

Dear all,



I have questions about the ERROR message from TETRA. When I tried to run
TETRA with the case.int file which did include lots of partial orbitals for
many atoms in it. The case.int file included 128 partial orbitals for 32 Si
atoms, i.e. tot,s,p,d orbitals. The case.int file was successfully
generated from CONFIGURE_INT_LAPW script. I had used batch mode of
CONFIGURE_INT_LAPW script. And then I had changed the energy window of DOS
calculation from its default setting values. Those things were common
procedure to calculate partial DOS. However, the ERROR message had been
appeared in the terminal window as following



mg too small

0.000u 0.000s 0:00.00 0.0%        0+0k 0+0io 0pf+0w



Now, I have two questions about this unexpected situation.



(1) What is the meaning this message, i.e. mg too small? When I tried to
run TETRA with another case.int file which included much smaller number of
partial orbitals for smaller number of atoms, there were no problems at
all. The calculation of DOS was successfully finished and I could get the
result files.



(2) Is there a kind of limitation on the number of partial orbitals that
can be calculated from TETRA?



Any help will be gratefully appreciated.
Best regards, YOOSOO
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