what's the problem with it. Please help me.
I follow the step to run the emc.py input-file.But it shows a mistake.The error is here.
nsgk114_KYF@gcn01:~/syd/electronic-mobility/LN/0.99/STA/BAND/test> emc.py input-file File "/home-gk/users/nsgk114_KYF/syd/emc-master/emc.py", line 183 print 'jacobi: [WARNING] Jacobi iteration did not converge in 50 passes!' ^ SyntaxError: Missing parentheses in call to 'print'. Did you mean print('jacobi: [WARNING] Jacobi iteration did not converge in 50 passes!')?
Try running with python 2.
OK,Thank you so much.And I'll make a try.
Thank you for you help and I have succeed run the emc.py,but I have another question.If the Kpoint in the input-file should be set at the VBM or CBM for hole and electron respectively.