[CP2K-user] RT_PROPAGATION with XTB
Carl Gauss
jfcga... at gmail.com
Thu Mar 5 21:10:27 UTC 2020
Dear All
I tested the RT_PROPAGATION at xTB level. Unfortunately, when INITIAL_WFN
is set to RT_RTESTART or RESTART_WFN the code gives a segmentation fault.
Have you planned to introduce the restart procedure for the xTB-EMD ?
Bests
Carl
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