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Hello!
I tried to optimize the linear molecule (three atomic molecule). But I found this error message:
ERROR: EXCEPTION RAISED: dsyev/pdsyevd failed in Matrix.
I tried to use the explicit bond, too. But it didn't help.
Explicit bond pair added between 0 and 2
Explicit bond pair added between 0 and 1
Explicit bond pair added between 1 and 2
Added 3 bonds between the non-bonded atoms
o Connectivitiy analysis
bond: 0 1 bond length 2.5511 bohr
bond: 0 2 bond length 5.1023 bohr
bond: 1 2 bond length 2.5511 bohr
Can you explain what is a problem?
The text was updated successfully, but these errors were encountered:
Hello!
I tried to optimize the linear molecule (three atomic molecule). But I found this error message:
ERROR: EXCEPTION RAISED: dsyev/pdsyevd failed in Matrix.
I tried to use the explicit bond, too. But it didn't help.
Explicit bond pair added between 0 and 2
Explicit bond pair added between 0 and 1
Explicit bond pair added between 1 and 2
Added 3 bonds between the non-bonded atoms
o Connectivitiy analysis
bond: 0 1 bond length 2.5511 bohr
bond: 0 2 bond length 5.1023 bohr
bond: 1 2 bond length 2.5511 bohr
Can you explain what is a problem?
The text was updated successfully, but these errors were encountered: