Hello,
this is an old problem where I'm doing a NEB calculation for a V2O5 slab. I'll get RESTART.kp files, but the program can't seem to find them. Or maybe I'm inputting it wrong in the .inp file. Does anyone know the proper format to consider RESTART.kp files into these band calculations? It's frustrating always starting from scratch and using ATOMIC GUESS.
The error is shown below, cp2k version 2024.1:
WARNING in qs_initial_guess.F:306 :: User requested to restart the ***
*** wavefunction from the file named: projectname-RESTART.kp. This file ***
*** does not exist. Please check the existence of the file or change ***
*** properly the value of the keyword WFN_RESTART_FILE_NAME. Calculation ***
*** continues using ATOMIC GUESS.