csld
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inconsistency
- the Born effective charge extracted by polaron_main is saved into a file named 'born.txt'. see line 800 of polaron_main: np.savetxt('born.txt', prim.symmetrize_born(borns).reshape((-1,3))
csld_main will read a file named 'born_charge.txt'
- csld/csld/util/tool_for_original_shengbte.py needs to be corrected:
"import numpy as np" should be added the beginning line.
In the followiing lines: 32 trDirect=array(LPT1[0][0])-array(LPT2[i][0]) 35 LPT2[j][0]=(array(LPT2[j][0])+trDirect).tolist() 36 lpt2[j][0]=(array(lpt2[j][0])+trDirect).tolist() 68 tmp=(array(allindex(i,origMappedOne2One))+1).tolist() 85 idx1=list(array(IntegerDigits(i,DIM, npt))+1) 87 idx2=list(array(IntegerDigits(j,DIM, npt))+1)
array---> np.array