[CPMD-list] Problem about CONSTRAINT!

[Yang Zhenyu]

 Dear CPMD users:
    
      I don't understand the structure of CONSTRAINT.
If I give the constraint as:

  CONSTRAINTS
   FIX STRUCTURE
   1
       DIST 1 2 1.3856 GROWTH 0.001
  END CONSTRAINTS
	
  I will get the file CONSTRAINT like this:

      1     1        -8.4551629000E-01    1.3876000000E+00
      2     1        -8.6635689677E-01    1.3896000000E+00
      ........skipped

  Would you please explain these results for me? 
  What does each column represent for and what is the units?
 
  And I have another question:
  Can CPMD do potential energy surface scanning?
  Would you please give me some hints and references?
 
 
  Any suggestions will be appreciated!
				

¡¡¡¡¡¡¡¡¡¡¡¡¡¡
¡¡Best Regards

¡¡Yang Zhenyu				
  State Key Laboratory of Nonlinear Mechanics (LNM)
  Institute of Mechanics, Chinese Academy of Sciences
  No.15 Beisihuanxi Road
  Beijing 100080, P. R. China
  FAX: 010-62579511
¡¡yangzy at lnm.imech.ac.cn
¡¡2005-12-24