[CPMD-list] the basis sets of CPMD
Rongjian Sa
rjsa at mail.shcnc.ac.cn
Mon Nov 25 13:21:56 CET 2002
Dear Everyone:
I want to use other basis sets or gaussian basis sets, but I do not know how to write the input file. So who can tell me the meaning of every line as N atom. Any help of you will be greatly appreciated.
&BASIS
PSEUDO ATOMIC ORBITALS
PSEUDO AO 3 OCCUPATION
0 1 2
1.45 0.10 3.45
&END
Sincerely yours,
Rongjian Sa
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