Nms
Very useful when many similar task are to be performed automatically, a moleule or AFM tip moved by some distance along a particular direction),Ī new input file for a DFT calculation saved, so that this DFT calculation can be run for a new geometry. This way all the instructions given in the file 'inp' will be executed (e.g.
Nms manual#
No manual has been updated yet, I'll do it some time. Recently, as of version 4.1, some basic support for QUICKSTEP has also beenĪdded! From version 4.70 partial support for Quantum Espresso was also added in TETR. An almost complete support for the SIESTAĬode has also been added. To allow for a more flexible support for other codes and input/outputįormats. The whole structure of the two codes has been reshuffled in order Support for the VASP code has also been added. At the beginning, DFT codes CASTEPĪnd CETEP were supported. KCL) as pre- and post-processing tools for DFT codes working with Written (initially at Keele and then continued in London at UCL and This is a documentation for a package of utilities which have been