dfmp2-grad5
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Note that if any specified fields do not fall along a symmetry axis, the symmetry of the calculation should be reduced accordingly; if in doubt run the calculation in C1 symmetry. For examples of SCF and MP2 calculations in an external field, see scf7 and dfmp2-grad5 .
अभी कुछ प्रकाशित नहीं हुआ।