[CPMD-list] How to use Constraints in CPMD

[chenghuiqc]

Dear cpmd-list all, 
I have some question for the Shove option in 
&ATOMS section in CPMD input file.How can I change some 
coordinates during the MD run? The manual only says 
to use shove option and set the entry to -1,0,or 1. 
Can anyone tell me how to set the changing step and 
all about the shove option? 

thank you 

chenhui 
Chem Dept, Nanjing Univ 
P.R.China 


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