stopopt

Tasks such as prepwan90 and projgen require only very basic input and are executed at the beginning in fleur_MPI, before eigenvectors are computed. These tasks are also not parallelized. Moreover, when making these preparations for MLWFs for a new system, which one has not calculated before, it is often good practice to first inspect the generated proj file and the generated WF1.win file and to check that the MLWFs setup is consistent. Therefore the key stopopt allows us to specify that the code should stop after executing the prepwan90 and projgen tasks.

In order to stop after executing projgen and prepwan90 specify the following jobList:

        <jobList>  projgen prepwan90 stopopt </jobList>