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code:ls_scf_initial_guess

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code:ls_scf_initial_guess [2015/01/24 18:49] – created oschuettcode:ls_scf_initial_guess [2015/01/24 19:29] oschuett
Line 8: Line 8:
   rank=same;   rank=same;
   if_hist [shape=diamond, label="Has prev. DM?"];   if_hist [shape=diamond, label="Has prev. DM?"];
-  do_aspc [label="Extrapolate DM with ASPC", width=4];+  do_aspc [label="Extrapolate DM with ASPC", width=4, URL=http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/LS_SCF.html#list_EXTRAPOLATION_ORDER"];
   if_hist -> do_aspc [label="yes", minlen=1.5];   if_hist -> do_aspc [label="yes", minlen=1.5];
 } }
code/ls_scf_initial_guess.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1