[CP2K-user] [CP2K:20731] Regadring plotting minimum energy path

Saurabh Negi saurabhnegi95628 at gmail.com
Fri Sep 27 06:39:53 UTC 2024


graph.psmp -ndim 2 -ndw 1 2 -file 1a-1.restart -find-path -point-a 5.471915 
2.427548 -point-b 1.908504 5.594854 -cp2k

I am using this command and in output as mep.data I am getting 
           1   5.5948539999999998        1.9085040000000000       
-5.9392963086707329E-002
           2   4.7411611158759808        1.9057636230091421       
-5.5036109794596957E-002
           3   3.8968492494178588        1.9153738548617325       
-5.5144538726598288E-002
           4   3.0444018318726567        2.1485266417287221       
-4.3596831313924507E-002
           5   2.6419646575578524        2.9355953851599383       
-2.9634281260401407E-002
           6   2.4919962548744730        3.7698386040636693       
-2.4690964073578289E-002
           7   2.4951555815573037        4.6211480722870553       
-2.9169339472993380E-002
           8   2.4275479999999998        5.4719150000000001       
-3.0136963798356273E-002

If we observe 1st and 8th line 
their x and y coordinates are exchanged

I want to ask is mep.data file give x and y coordinates in reverse order ?

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