Failed to recognise atom B(Boron)

[sasipreetham devarakonda]

Hello, All,

I am currently performing dynamics calculations in molpro software on a molecule containing 47 atoms. 

I encountered an error with one of the atom, i.e atom B (Boron) stating, 

ENTERED FNS CODE

RanB seeded with Initializing electronic structure ...

Reading Geometry from Geometry.dat...

Particle number:  13

Atom type:    B

In Dierror...

Error: unrecognized atom type. Cannot assign width.

 could you help me to resolve this issue?

 

[sasipreetham devarakonda]

Hello, All,

I am currently performing dynamics calculations in molpro software on a molecule containing 47 atoms. 

I encountered an error with one of the atom, i.e atom B (Boron).

The following are required files.