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13.5.4 NQNL, NQNNL, DELQNL tags

These tags determine the grid for the non local potential in reciprocal space. If you want to avoid incompatibilities with VAMP, NQNL must be 100, this is also the default value. Default for DELQNL is 0.1, the actual spacing is 2/RCORE DELQNL tex2html_wrap_inline4401 1/a.u., NQNNL is only used in conjunction with perturbation theory.

Mon Mar 29 10:38:29 MEST 1999