Search found 2 matches
- Mon Aug 05, 2024 2:50 am
- Forum: Running the code
- Topic: Calculation of the intensity of lambda (ele-phon coupling constant) is too big
- Replies: 2
- Views: 1307
Re: Calculation of the intensity of lambda (ele-phon coupling constant) is too big
Hi Sabya I think the energy band diagram fitted by my Wannier function is still good. I attach the picture.I have tried to increase the coarse grid quantities, and the lambda will change but it is still unusually large.I have used pbe, pbesol and uspp pseudopotentials to calculate, but it has no sub...
- Fri Jul 26, 2024 12:02 pm
- Forum: Running the code
- Topic: Calculation of the intensity of lambda (ele-phon coupling constant) is too big
- Replies: 2
- Views: 1307
Calculation of the intensity of lambda (ele-phon coupling constant) is too big
Dear all, When I calculate the EPC strength (lambda) of BCC V according to the example that pb has no soc, the result in epw.out is extremely large, reaching 3799,and the lambda_tr reaching 3357. I found that someone in the forum had encountered this problem before, and he solved it by changing the ...