[Pw_forum] LSDA error

Manu Hegde mhegde at uwaterloo.ca
Wed Jun 21 22:01:12 CEST 2017


Hello,

I was performing 'vc-relax' calculation (LSDA) i found this message after
few cycles. After performing scf calculaion run stopped. (using QE 5.4)


 lsda relaxation :  a final configuration with zero
                        absolute magnetization has been found

     the program is checking if it is really the minimum energy structure
     by performing a new scf iteration without any "electronic" history


Thanks
Manu Hegde

(PDF, University of Waterloo)
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