Cell input file format (read cell from external file)
fede... at gmail.com
fede... at gmail.com
Thu Jan 22 13:21:01 UTC 2015
I read in the CP2K manual that it is possible to read in the cell data from
an external file ( CP2K_INPUT
<http://cp2k.web.psi.ch/manual/cp2k-2_4-branch/CP2K_INPUT.html> / FORCE_EVAL
<http://cp2k.web.psi.ch/manual/cp2k-2_4-branch/CP2K_INPUT/FORCE_EVAL.html>
/ SUBSYS
<http://cp2k.web.psi.ch/manual/cp2k-2_4-branch/CP2K_INPUT/FORCE_EVAL/SUBSYS.html>
/ CELL
<http://cp2k.web.psi.ch/manual/cp2k-2_4-branch/CP2K_INPUT/FORCE_EVAL/SUBSYS/CELL.html>
/CELL_FILE_NAME), however I can't find any information on how this file has
to look like and my tries were not successful so far.
Does anybody know how this file should look like?
Parsing seems to be done in line 843 of file ../src/cell_types.F using CP2K
version 2.4.0
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