[CP2K-user] Example for directives CELL_FILE_NAME and CELL_FILE_FORMAT

[iva...@gmail.com]

Dear all,

Let us assume I have the following cell vectors
c1 = (     16.825498395006      0.000000000000      0.000000000000 )
c2 = (     -8.412749197503     14.571309041409      0.000000000000 )
c3 = (      0.000000000000      0.000000000000     45.000000000000 )

According to the manual, it seems one must invoke the file.dat (or whatever 
name) such that:
CELL_FILE_NAME   file.dat

How shall I set file.dat with such c1, c2, c3 vectors? Would it be 
something like 
16.825498395006      0.000000000000      0.000000000000 
 -8.412749197503     14.571309041409      0.000000000000 
0.000000000000      0.000000000000     45.000000000000 

What is option for CELL_FILE_FORMAT compatible with the above file.dat?
Thanks a lot for your help 
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