ABINIT Discussion Forums

Hi, in different calculations i get the error overflow of mcg integer for size of the full wf. I heared that mkmem should have fixed the problem, but it is not supportet in abinit 8 anymore. Now i tried paral_kgb 1 with autoparal 1, no success. Of course you cant help me in detail because of lacking...

Thx for the advice,
i think it works this way, but i found out that optcell 4,5 or 6 is a better way for me.

Just if someone has the same question

Hello there,

my question is if there is a possibility to relax atomic postions only in one direction and clamp the other.

Thanlks in advance
Visum

Hi,
im new in this forum new to abinit and not very used to linux so please be patient

My question refers to abipy. I need .nc output from abinit to do the post processing.
But I dont get the needed output data.
Can anyone tell me why?

Thanks alot
Visum