[Wien] Invitation to connect on LinkedIn

2012-03-29 Thread jaafar jalilian via LinkedIn
LinkedIn





jaafar jalilian requested to add you as a connection on LinkedIn:
  

--

Saeid,

I'd like to add you to my professional network on LinkedIn.

- jaafar

Accept invitation from jaafar jalilian
http://www.linkedin.com/e/hkdd2o-h0e1lz1z-2j/77q4aLF8a-dbNmmcGlp90DOvAVARfBOcUAZW3ymqWXObQhS/blk/I190881675_130/6lColZJrmZznQNdhjRQnOpBtn9QfmhBt71BoSd1p65Lr6lOfP0PclYRdPoNe3wMej59bQgNhT9ms6lhbPoOdjcPczgUd3oLrCBxbOYWrSlI/EML_comm_afe/?hs=false&tok=0HkL6kWZlR0Bc1

View invitation from jaafar jalilian
http://www.linkedin.com/e/hkdd2o-h0e1lz1z-2j/77q4aLF8a-dbNmmcGlp90DOvAVARfBOcUAZW3ymqWXObQhS/blk/I190881675_130/c3cNnPkTdz4Ue30VckALqnpPbOYWrSlI/svi/?hs=false&tok=2XAVVM9NNR0Bc1

--

Why might connecting with jaafar jalilian be a good idea?

jaafar jalilian's connections could be useful to you:

After accepting jaafar jalilian's invitation, check jaafar jalilian's 
connections to see who else you may know and who you might want an introduction 
to. Building these connections can create opportunities in the future.
 
-- 
(c) 2012, LinkedIn Corporation
-- next part --
An HTML attachment was scrubbed...
URL: 
<http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120329/7fdbaff2/attachment.htm>


[Wien] lsart

2012-03-29 Thread Stefaan Cottenier

> *WARNING: R0 for atom   -1 Z= 49.00 too big*

See the FAQ: http://www.wien2k.at/reg_user/faq/r0.html

Stefaan



[Wien] lsart

2012-03-29 Thread ben amara imen
Hello!
  I am trying to do Initia-calcul. By x_lstar, I see the following:

 SELECT XCPOT:
  recommended: 13: PBE-GGA (Perdew-Burke-Ernzerhof 96)
5: LSDA
   11: WC-GGA (Wu-Cohen 2006)
   19: PBEsol-GGA (Perdew etal. 2008)
  SELECT ENERGY to separate core and valence states:
  recommended: -6.0 Ry (check how much core charge leaks out of MT-sphere)
  ALTERNATIVELY: specify charge localization
  (between 0.97 and 1.0) to select core state

*WARNING: R0 for atom   -1 Z= 49.00 too big*

LSTART ENDS
0.672u 0.052s 0:00.72 100.0%0+0k 0+2520io 0pf+0w


Can I continue to use R0 given by w2web even if I get this WARNING???
but i think that i will have a error in Dstart!

Can you help me please? Thanks in advance
-- next part --
An HTML attachment was scrubbed...
URL: 
<http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120329/21f3f5e6/attachment.htm>