[DFTB-Plus-User] waveplot cubemanip error
孙萍萍
pps265616 at 126.com
Thu Jan 9 10:23:52 CET 2014
Dear all,
As cubemanip can only handle cases with the same grid vectors, similar system (similar size and structure) .
Is there any solution for the systems that have different grids by using cubemanip to make the grids become the same?
In my cases, I have 3 systems, they are system A, B, C.
In A, it contains a molecular. In B, it contains a cluster. In C, it contains the molecular of A and the cluster of B.
Now what I want to get is the charge density difference of the 3 systems.
In the form of a formula is : charge density difference = C - A - B.
Is there any tool to get the charge density difference that I wanted?
Hope to get your help.
Best wishes !
Ariel
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20140109/3bb72018/attachment.htm>
More information about the DFTB-Plus-User
mailing list