This message means that at some points of space, the exact tau is
smaller than tauw (Weizsaecker tau, which is considered as a lower bound
for the exact tau), which in principle should not occur. However, due to
relativistic effects or numerical inaccuracy this can happen, but this
should be of no importance and can be neglected.

F. Tran

On Fri, 5 Feb 2016, Yundi Quan wrote:

Hi,I'm using WIEN2k_14.2. I ran a mBJ calculation without any error
messages. However, in the dayfile, there are a few lines (see below) that
appear in every iteration. I searched the mailinglist and found a few
threads discussing tauwrong. In one email, it was mentioned that so long as
tauwrong occurs in first few iterations only, it is probably OK. In my case,
tauwrong is printed in every iteration. I tried increasing RKMAX, GMAX and
decreasing R0 but tauwrong seems to persist.  Is there anything that can be
done to reduce tauwrong?


11.516u 0.156s 0:11.70 99.6%    0+0k 0+56464io 0pf+0w
>   lapw0 -p    (01:16:03) running lapw0 in single mode
 int:rho,tauw,grho,g2rho  1.263642904812223E-002  7.319011730756878E-003
  1.923394628650955E-002  1.742959245171807E-002 tauwrong=
  7.215614396214619E-003
 int:rho,tauw,grho,g2rho  1.263643204417289E-002  7.319008340095010E-003
  1.923394411142397E-002  1.742958956124400E-002 tauwrong=
  7.215617355511785E-003
 int:rho,tauw,grho,g2rho  1.269755117552406E-002  7.406288759233071E-003
  1.939502312873800E-002  1.726099988017593E-002 tauwrong=
  7.110715480360026E-003
 int:rho,tauw,grho,g2rho  1.269755418056077E-002  7.406285356289287E-003
  1.939502096809148E-002  1.726099678439634E-002 tauwrong=
  7.110718613380239E-003
 int:rho,tauw,grho,g2rho  1.257285604534558E-002  7.433212138438107E-003
  1.933460174620597E-002  1.750467017473685E-002 tauwrong=
  7.132599708516582E-003
 int:rho,tauw,grho,g2rho  1.257285904074272E-002  7.433208775153029E-003
  1.933459967523619E-002  1.750466686522460E-002 tauwrong=
  7.132602720463302E-003
 int:rho,tauw,grho,g2rho  1.226798829689419E-002  7.396964227846937E-003
  1.905212540162081E-002  1.812458735864070E-002 tauwrong=
  7.274267817265223E-003
 int:rho,tauw,grho,g2rho  1.226799126393488E-002  7.396960953489341E-003
  1.905212348869014E-002  1.812458386008545E-002 tauwrong=
  7.274270434982417E-003
 int:rho,tauw,grho,g2rho  1.214199412885582E-002  7.662424173225873E-003

_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Reply via email to