Updating your wiki with key information on BH3
- Now it is time to record key information from your optimised job in your wiki
- Look here for an example of the format and type of information you should present.
- Take a snapshot of the summary table and include this information in your wiki. Do not waste time making up a table! It is far more important that you spend time thinking about your results than in making a pretty table.
- Use the wiki resources page to learn how to insert the image
- You can also use the "edit" button on the "test" page to see how the wiki is created (do not change the actual wiki page!!)
- Include the "Item" table. Do not waste time making up your own table just cut-and-paste from the log file into your wiki, enclose this material with the <pre> and </pre> tags as this will retain the formatting.
- Add a Jmol dynamic image Again use the wiki resources page to learn how to insert the jmol. Be sure to back-up your wiki first!
- Link to your completed BH3 optimisation *.log file, you will loose marks if this file is not present. Again use the wiki resources page to learn how to link to a log file.
- What if you cannot find the *.log file? If you have it open in gaussview it is there! It is just that when you look for it in your folder, silly microsoft is not giving the .log extension. So find the file you think is the log file (in your folder) and double click on it, it should open in a text editor and look exactly like the file that opens when you click on "view file" in gaussview. You are actually looking at the same file! You are using two different applications to view the same file.
- If you have problems don't run in circles ask a friend or a demonstrator to help you! (That is why they are there)
- When you are ready move onto the next step