[QE-users] Constraint optimization - change in constraint distance

[PARISA ALAMDARI]

Dear QS users,
 I tried to do constraint geometry optimization by fixing the distance between one carbon of ethylene and one carbon of graphene with double vacancy. I attached  my input  file to this message. The job was done, but the distance changed from initial value of 3.325 to final value of 1.76 A . Please let me know waht is the problem. 
Thank you in advance,
Parisa Alamdari,
PhD Student,
AUT, Iran






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