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["zyg" <zhengyg@126.com>]

Dear all,

 

I'm trying to use the ANADDB package to calculate the electron-phonon limited conductivity. First I did the calculations of step 1 to 3 of the "lesson on the electron-phonon interaction". Then I added the following line in telphon_4.in:

 

ifltransport    1

 

and modified the telphon_4.files as:

 

telphon_4.in

telphon_4.out

telphon_2o.ddb.out

moldyn

telphon_3o.GKK.bin

telphon_4.ep

temp.in                                             # --> added

 

and the file temp.in looks like:

 

telphon_1o_DS3_1WF1

telphon_1o_DS4_1WF2

telphon_1o_DS5_1WF3

telphon_1o_DS1_WFK

 

Then I execute ANADDB with telphon_4.files, the program stopped after the following error message was printed out:

 

read_el_veloc ******* wrong number of kpoints  40 64

 

This is very strange because I find that the nkpt is 64 in telphon_1.out while the nkpt read from the telphon_1o_DS1_WFK is 40. I think these two nkpts should be the same. Could anyone explain this for me?

I also don't know how to set up a series of runs to calculate the electron-phonon limited conductivity with ifltransport=1.

Would any of you that had an experience on this kind of calculation give me a comment. I really appreciate it.

 

regards,

 

YG

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