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Issue in the calculation of electron self energy 
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Joined: Wed May 09, 2018 11:04 am
Posts: 8
University: IIIT ALLAHABAD
Post Issue in the calculation of electron self energy
Dear Experts,
I am running epw calculation for[b] electronselfenrgy. It stop in between with the error

""At line 294 of file readmat_shuffle2.f90 (unit = 81, file = '../phonons/save/si.dyn_q8')
Fortran runtime error: Bad integer for item 1 in list input ""


I have used 7,7,1 q-points in ph_calculation. But epw calculation stops at :
===================================================================
irreducible q point # 8
===================================================================
Symmetries of small group of q: 1
Number of q in the star = 12
List of q in the star:
1 0.142857143 -0.412393050 0.000000000
2 0.142857143 0.412393050 0.000000000
3 0.285714286 0.329914440 0.000000000
4 -0.428571429 0.082478610 0.000000000
5 -0.428571429 -0.082478610 0.000000000
6 0.428571429 0.082478610 0.000000000
7 -0.142857143 0.412393050 0.000000000
8 -0.142857143 -0.412393050 0.000000000
9 -0.285714286 -0.329914440 0.000000000
10 0.428571429 -0.082478610 0.000000000
11 -0.285714286 0.329914440 0.000000000
12 0.285714286 -0.329914440 0.000000000


In irreducible q point #8 , there are number of q in the star = 12, and that is yet to be solved. Before this, in irreducible q point #7 it has solve upto :
Dyn mat calculated from ifcs
q( 38 ) = ( 0.1428571 0.5773503 0.0000000 )
q( 39 ) = ( -0.5714286 -0.1649572 0.0000000 )
q( 40 ) = ( 0.4285714 -0.4123930 0.0000000 )
q( 41 ) = ( -0.4285714 -0.4123930 0.0000000 )
q( 42 ) = ( -0.1428571 -0.5773503 0.0000000 )
q( 43 ) = ( -0.4285714 0.4123930 0.0000000 ).


The total q-points goes to 43+12=55 which is a higher number than 49.



Please reply if you need any input file or other details


Tue Dec 03, 2019 10:56 am
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