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Wien Job Initialization

This input form (and accompanying extraction scripts) helps to automate and simplfy the job initialization steps for Wien 97 calculations. Rather than go through the normal interactive setup procedure, this form prompts you for the required input in advance and then submits a batch initialization which can be carried out remotely.

Please note that the normal interactive Wien initialization script prompts you to examine intermediate output files and edit automatically generated input files. While this can be rather time consuming, it is often very useful for debugging your input, or for tuning the desired computational accuracy. Due to the difficulties in trying to reproduce such an interactive process via an online script setup, we recommend that after the completion of the initialization you review the following output files:

As well, you may wish to edit the following input files:

If you only decide to make changes in case.in1, case,in2 or case.inm, or would like to add or remove spin polarization, you need only rerun DSTART (i.e., Type of Initialization: Correction / refinement). If you change anything else, though, it is highly recommended that you redo the initizalization in full.