[Pw_forum] atomic position relaxition under electric field

[shypirate]

Dear all:
I have used PWscf to do atomic position relaxition under finite electric field. The electric field is applied by adding a saw-like potential to bare ionic potential. The total force calculated seems not to be convergent. And there are two questions unclear for me:
1. In atomic position relaxition, does the force from external electric field contribute to total force?
2. Will all the atoms move along the direction of external electric field as a whole? If that happens, the total energy and total force can not get convergence.

Thanks for your warmly help!

Y.P.Wang

2009-06-30 



shypirate 
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