Dear Sir,
I have a problem about the calculate IV loop in ATK2010 manual ,page 108, as the attachment.
1. I know the “device_configuration.update()” means run scf. In this IV calculation, there is no “device_configuration.update()”, and I suppose there is no “ restore the old scf ” in this scipt , right ? ( ATK 2008, IV calculation, restore the old scf, saving a lot of time).
If we want to save the scf for each " voltage", and restore the old scf for the next step calculation, just like ATK2008 did, how to change the script ?
2. what does the “device_configuration.set_calculator(…., initial state = device_configration)” means ?
It means “ scf process” or “just collect the parameters” ?
In one word, this script confused me, hope to get a detail discription ( compared with ATK 2008)