[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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