[Wien] convergence velocity

yxl@email.jlu.edu.cn yxl at email.jlu.edu.cn
Thu Sep 6 13:25:18 CEST 2007


Dear users,
    I'm doing the same calculation(all input files are the same) simultaneously on my personal computer(single core) and a pc cluster(k-points parellization).  I expect the 
convergence velocity should be the same, i.e. the ':DIS' in each iteration should be the same. But their convergence are different, in first iterations are the same, but later they are different completely. I wonder whether this situation is normal.
    Your suggestions will be appreciated.
                                                                                        yours sincerely,
                                                                                              hongxia
   


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