[Pw_forum] band-gap of si in example5

华 李 lvtieyu1975 at yahoo.com.cn
Thu Aug 12 07:25:18 CEST 2004


Paolo Giannozzi :
      When I ran example5, I found a question. I ran run_example in example5. I got the results. These conform to reference. Because I only wanted to calculate the band-structure, I delete No:79 to 172 lines in run_example of example5. I get the band-gap of Si is 0.9126 eV. Why? I found si.band.in in results is the same to si.band.in in reference.
 
Best wishes
 
tylv



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