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[sudeepns.197me025]

Hello Sir, 
Greetings, 

I could able to get rid of site fraction error, however, DASPK Solver errror remains unrectified from my end. 
I have attached a snap of the same for your reference. 

The below are my solver inputs. 

1. Absolute tolerance = 1e-30

2. Relative tolerance = 1e-22

3. Sensitivity absolute tolerance = 1e-18

4. Sensitivity relative tolerance = 1e-06

5. Solver maximum step distance = 0.01 nm

6. Scaling factor for relaxing surface equations = 1e-08 micro-meter/sec

7. Initial Time step = 0.01 nm

8. Initial integration step = 0.01 nm

9. Maximum relative change in site fractions = 1 e-06

10. Maximum absolute change in site fractions = 0.001

Kindly let me know, what changes are to be made to solve this error. 

Looking forward for your reply.