[Pw_forum] memory

Jaita Paul jaita at jncasr.ac.in
Sat Apr 16 13:01:22 CEST 2005


Dear all,

Before running pw.x calcs i gave a check on the memory estimate of the
file.with 3 k points the estimated mem was 5.2 GB for a unit cell with 91
atoms-when i reduce the k-points to a single(gamma)point then also the
estimated mem remains the same. the no. of plane waves reduces to
half(from 31000 to 16000) when i change the k point mesh.i cannot figure
out the mistake....
can anyone help me?cud this arise out of wrong input atomic coords?

regards,
Jaita.



More information about the users mailing list