mirror of https://github.com/QMCPACK/qmcpack.git
42 lines
332 B
Plaintext
42 lines
332 B
Plaintext
**DIRAC
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.WAVE FUNCTION
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.ANALYZE
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**HAMILTONIAN
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.ECP
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**INTEGRALS
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*READIN
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.UNCONTRACT
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**WAVE FUNCTION
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.SCF
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.RESOLVE
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*SCF
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.CLOSED SHELL
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2 0
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.OPEN SHELL
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1
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3/0,6
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.EVCCNV
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1.0d-05
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**ANALYZE
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.PRIVEC
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.MULPOP
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*PRIVEC
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.AOLAB
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.VECPRI
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1..2
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1..6
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.PRINT
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1
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*MULPOP
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.AOLAB
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.VECPOP
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1..2
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1..6
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.PRINT
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1
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**GENERAL
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.PCMOUT
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*END OF
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&GOSCIP IPRNT=5 &END
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