ABINIT Discussion Forums

I have the same problem and I will provide you with the required details: Linux -Ubuntu x86_64 x86_64 x86_64 GNU/Linux I build atompaw from an external download- I have downloaded atompaw-3.1.0.3 I get the same error as mentioned in the above post -shared library libatompaw.so.0 error. Thanks for yo...

Dear Jordan, Thanks for your advice. I want to strictly use the xml psp (due to its finer quality). So from what I understand from you, I have to take the xml parameters and generate its .paw counterpart- So these paw formatted PSPs are the same xml PSPs only that they are in paw format? Thanks for ...

Dear Marc, I am using XML formats of PSPs downloaded from m The prob is that abinit-7.6.2 seems to have difficulty reading the PSPs. The output halts immediately after this: ------------------------------------------------------ -instrng : 23 lines of input have been read from file GaAs_3C_paw60_ecu...

Dear Igor, I have the same problem with rprimd being too large and that I get my calculations to crash with this error and that I need to increase dilatmx, I am dealing with GaAs wurzite structure full geometry optimization. I checked that my structure was correct by visualizing it. it might seem si...