Get Tweak results

Tweak is convenient, but in the JCPDS table you can only find the tweak parameters. What you really want to know in most cases is the unit-cell parameters after tweak. The information on unit-cell parameters after tweak can be found in two different ways.

Show

If you highlight a JCPDS and click the Show pushbutton above the JCPDS table, it will open a pop-up window showing calculation results. There, you can find original contents of JCPDS before tweak, followed by unit-cell parameters after tweak. We provide two different "after tweak" values: (1) tweak applied for 1 bar unit cell parameters, and (2) tweak applied for unit-cell parameters at high pressure and temperature.

Excel

The same information we discuss above for the Output function can be also written in the excel format. In the case of excel output, all the JCPDSs in your list will be saved in one excel file. Each JCPDS can be found in different worksheet in the excel file. There you should be able to find unit-cell parameters before and after tweak.