[Pw_forum] (no subject)

[Raghani Pushpa]

dear users,
i was doing the slab calculations on a 9 layer
slab with pw.2.0.1. i was relaxing the top most
and bottom most layers. following are the
energies after each ionic move ie. when the self
consistency is achieved after each ionic move.
      1 -526.81315909
      2 -526.82109709
      3 -526.81619935
      4 -526.82131390
      5 -526.82123272
      6 -526.82130692
      7 -526.82131312
      8 -526.82131381
      9 -526.82131383
     10 -526.82131383
     11 -526.82131383
     12 -526.82131383
     13 -526.82131383
     14 -526.82131383
     15 -526.82131383
     16 -526.82131383
     17 -526.82131383
     18 -526.82131383
     19 -526.82131383
     20 -526.82131383
     21 -526.82131383
     22 -526.82131383
     23 -526.82131383
     24 -526.82131383
     25 -526.82131383
     26 -526.82131383
     27 -526.82131383
     28 -526.82131383
     29 -526.82131383
     30 -526.82131383
     31 -526.82131383
     32 -526.82131383
     33 -526.82131383
     34 -526.82131383
     35 -526.82131383
     36 -526.82131383
     37 -526.82131383
though the energy is not decreasing further from
9th to 37th iteration but the code is still
running, it does not stop. could u please tell
me why is it happening?

pushpa