ABINIT Discussion Forums

Dear Abinit users;
I am already running a GW calculation using Abinit. for doing calculations as soon as possible, I devided Brilluin zone to 3 parts: Gamma-X, X-M, M-Gamma.
for each zone, I have done calculations. the problem is that for last part, I mean, M-Gamma, the calculation can not be done. in second step, I mean in screening file calculation, the speed of calculations dramatically decreases such that calculation for 1st q-point has been not completed yet. I tried it on different systems, with linux platform. but the problem isnot solved. I acuaaly have no idea about what should I do? I guess the problem should be related to code. So, I have attached the second step input file. Please let me know what should I do? this input file is as for other zones nad I am really surprised about what is problem within it/ Do you think it relates to variables? is there any lack of variables or any excess? Please! I really need to solve this problem as soon as possible!

Mmm, I don't think that this is your problem, but why do you define 4 kpoint shifts, but 3 of them are 0.0 0.0 0.0?

Dear JEjones
it is the last part of calculations, and the only component changing is z component. so, y and x components are set to 0. I still have my problem, and that is only for this part of calculations, I mean for M-G. I need your opinions seriousely!

Yours
Zahra