QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: namrata on January 9, 2010, 12:16

Title: how to convert a 2009.06 geometry setup to 2008.10
Post by: namrata on January 9, 2010, 12:16

hello everyone ,
i got a script from the web for a two probe geometry setup for version 2009.06 but i m currently familiar with 2008.10 version only i want to convert that script to 2008.10 how do i do that ?
i tried using co ordinates but was not able to define equivalent atoms properly , is there some trick to easily find this from the 2009.06 script ?

Title: Re: how to convert a 2009.06 geometry setup to 2008.10
Post by: zh on January 10, 2010, 13:42

It may be very simple to convert them by copying and pasting.   

Title: Re: how to convert a 2009.06 geometry setup to 2008.10
Post by: Anders Blom on January 11, 2010, 16:39

Provided your atoms are ordered "normally", the equivalent atoms can usually be kept at their defaults, which are [(0,0),(-1,-1)]. If not, however, you really must figure it out by hand. Here we can see why the new way of setting up a two-probe in 2009.11 (or, make that 2009.12, released today!) will be much easier :)