[molpro-user] : i need help : save matrix
Hanen-externe AMOR
hanen-externe.amor at edf.fr
Tue Nov 4 14:53:09 GMT 2008
Hello
My name is hanen and i have recently installed molpro and i run these
instructions
***,O2
print,basis,orbitals
r=2.2 bohr
geometry={O1;
O2,O1,r}
basis=STO-3G
hf
And i am trying to obtain the following three matrices
1 - Density matrix D
2 - Fock matrix F
3 - Overlap matrix S
and i am trying to save them in separate files, it is possible to save
them and how can i do?
Thanks in advance
Best regards,
Hanen
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