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siesta: ==============================
Begin CCSD Module
==============================
Reference Wave Funciton : Hartree-Fock wave function
Four-Index Transformation
-------------------------
Number of basis functions: 12
Number of spin orbitals: 24
Number of occupied orbitals: 12
Number of unoccupied orbitals: 12
Init MP2 CorrE /Hartree : -0.134670413527
Init MP2 Energy /Hartree : -13.631817651193
Iter E_corr Delata_E
1 -0.1538551773 0.0191847637
2 -0.1618401003 0.0079849230
3 -0.1656906334 0.0038505331
4 -0.1677273896 0.0020367562
5 -0.1688689402 0.0011415505
6 -0.1695334511 0.0006645109
7 -0.1699298690 0.0003964179
8 -0.1701701208 0.0002402517
9 -0.1703172011 0.0001470803
10 -0.1704078217 0.0000906207
11 -0.1704638845 0.0000560628
12 -0.1704986590 0.0000347745
13 -0.1705202655 0.0000216065
14 -0.1705337053 0.0000134398
15 -0.1705420715 0.0000083662
Total Iteration: 15
CCSD CorrE /Hartree : -0.170542071467
CCSD Energy /Hartree : -13.667689309133
CCSD test for CH4 with SZ basis set in SIESTA program !
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