I have found that CP2K code do not read the normal Cartesian coordinates. Further there are a lot of options to make the input files suitable according to your need. Any help can be handy.
If you want to generate coordinate files for the input you can simply use freeware programs such as "avogadro"
http://avogadro.de.softonic.com/
Hello. I want to do, but so far I have not done cp2k one can not help me?
there is an excellent tutorial available for cp2k. you find it here:
http://www.cp2k.org/tutorials
in addition, I recommend to subscribe to the cp2k google group. Many questions, answers and available data are very helpful to start with.
https://groups.google.com/forum/#!forum/cp2k
If I understand you question correctly, you can always use the TOPOLOGY section in CP2K as follows (and leave out the COORD section)
&TOPOLOGY
COORD_FILE_FORMAT XYZ
COORD_FILE_NAME geometry.xyz
&END TOPOLOGY
Now, you can simply use any gui interface (I prefer Atomic simulation environment and is really good if you like Python and want to have a little more control over things you can do) to make your geometry.xyz file. This xyz file should reside in the working directory.
Or, I don't know if you are looking for something like PYCP2K or related tools - see https://www.cp2k.org/tools
We have recently published a simple and interactive GUI that allows you to create CP2K input files. The program is called CP2K Editor, and it provides a user-friendly interface for both new and experienced users. The program is freely available on Github (https://github.com/avishart/CP2K_Editor) and you can find information about the program in the following paper: Vishart, A.L., Ree, N. & Mikkelsen, K.V. J Mol Model (2019) 25: 115. https://doi.org/10.1007/s00894-019-3987-6
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