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kohn-sham_random-phase_approximation [2023/02/22 14:12] – [RIRPA program] chemieegortrushikohn-sham_random-phase_approximation [2023/08/13 20:11] – [RIRPA program] chemieegortrushi
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 Example input file for spin-restricted calculations for the CO molecule: Example input file for spin-restricted calculations for the CO molecule:
-<code> +<code - examples/co_rirpa.inp>
-memory,8000,m ! memory specification+
 gthresh,twoint=1d-20,energy=1d-10,orbital=1d-8 ! tighter thresholds are recommended gthresh,twoint=1d-20,energy=1d-10,orbital=1d-8 ! tighter thresholds are recommended
 gdirect ! integral-direct mode gdirect ! integral-direct mode
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 </code> </code>
 As well as an example of spin-unrestricted calculation for the NH<sub>2</sub> molecule: As well as an example of spin-unrestricted calculation for the NH<sub>2</sub> molecule:
-<code> +<code - examples/nh2_urirpa.inp>
-memory,8000,m ! memory specification+
 gthresh,twoint=1d-20,energy=1d-10,orbital=1d-8 ! tighter thresholds are recommended gthresh,twoint=1d-20,energy=1d-10,orbital=1d-8 ! tighter thresholds are recommended
 gdirect ! integral-direct mode gdirect ! integral-direct mode