EPW Forum

Hello,
I am writing to ask if we can calculate polarons in 2d materials using the current framework.
Is there any tutorial for that.
Thanks in advance.
Pravin Karna

Hello, I have a problem while plotting the electron polaron in lithium fluoride. The polaron gets exploded into different sections and are stationed at the corners possibly due to folding. Can anybody help me with this problem so that I can plot a single large polaron as shown in the tutorial. I am ...

Hello Sabya, Thank you for your response. Currently I am using 1 node with 36 cores and get the problem. I had initially tried with 2 nodes with 72 cores and got the same error file. I preempted the number of cores might be the problem. I think I need to increase the number of k-points as I am only ...

Hello, I was trying to run the example to calculate the polaron from the recent example section. However while trying to run the second epw code for calculating the polaron, I ran into a problem. The crash file reads task # 68 from polaron_prepare : error # 1 Illegal nhblock_plrn, should between 1 ...

Hello Xiao,
Thank you for your response.

Best
Pravin Karna

hello all, I was trying to compute the drift and hall mobility of cubic boron nitride as given in the tutorial files. I could calculate the hole mobility and spectral decomposition. However as I was trying to calculate the carrier ionized impurity scattering, the calculation crashed which I suspect ...

hello all, I was trying to compute the drift and hall mobility of cubic boron nitride as given in the tutorial files. I could calculate the hole mobility and spectral decomposition. However as I was trying to calculate the carrier ionized impurity scattering, The calculation crashed which I suspect ...