[Wien] [SPAM?] Re: same k vector, different eigenvectors

[曹迎迎]

Dear Prof. Marks,

  Thank you for your advise. 

  I am using WIEN2k(21.1) + ifort(composer_se_2013.0.079) + mkl (11.0.0.079), which is compiled by using the options: 

"-O -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io -I$(MKLROOT)/include -qopenmp -L$(MKLROOT)/lib/intel64 -lpthread -lm -ldl -liomp5 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core". ELPA is not being used. And I am running the 'runsp' coommand in the single mode, not the mpi parallel mode, with k-point parallel only.

  I have checked the case.output1up/dn and the case.outputso files, all the parameters about the basis are same. 

  Best regards,

  Yingying Cao


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