<div dir="ltr">I have a query. nlvdw has been checked for both strongly and weakly bound materials. But, how much inaccurate the GGA is in comparison to nlvdw?</div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sun, 16 Feb 2020 at 22:06, Tran, Fabien <<a href="mailto:fabien.tran@tuwien.ac.at">fabien.tran@tuwien.ac.at</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div dir="ltr" style="font-size:12pt;color:rgb(0,0,0);background-color:rgb(255,255,255);font-family:Calibri,Arial,Helvetica,sans-serif">
<p>In principle, the nlvdw module requires (much) more RAM than lapw0, lapw1, etc. do.<br>
</p>
<p><br>
</p>
<div style="color:rgb(33,33,33)">
<hr style="display:inline-block;width:98%">
<div id="gmail-m_-39772652758952601divRplyFwdMsg" dir="ltr"><font style="font-size:11pt" face="Calibri, sans-serif" color="#000000"><b>From:</b> Wien <<a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at" target="_blank">wien-bounces@zeus.theochem.tuwien.ac.at</a>> on behalf of shamik chakrabarti <<a href="mailto:shamik15041981@gmail.com" target="_blank">shamik15041981@gmail.com</a>><br>
<b>Sent:</b> Sunday, February 16, 2020 5:31 PM<br>
<b>To:</b> A Mailing list for WIEN2k users<br>
<b>Subject:</b> Re: [Wien] Error in nlvdw</font>
<div>Â </div>
</div>
<div>
<div dir="ltr">I am able to run GGA on the same structure & there is no problem of RAM in that case.</div>
<br>
<div class="gmail_quote">
<div dir="ltr" class="gmail_attr">On Sun, 16 Feb 2020 at 21:56, Tran, Fabien <<a href="mailto:fabien.tran@tuwien.ac.at" target="_blank">fabien.tran@tuwien.ac.at</a>> wrote:<br>
</div>
<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div dir="ltr" style="font-size:12pt;color:rgb(0,0,0);background-color:rgb(255,255,255);font-family:Calibri,Arial,Helvetica,sans-serif">
<p>And if this was really a problem of RAM, then you need to use more computers in order to have more RAM in total.<br>
</p>
<p><br>
</p>
<div style="color:rgb(33,33,33)">
<hr style="display:inline-block;width:98%">
<div id="gmail-m_-39772652758952601gmail-m_4261440236847230168divRplyFwdMsg" dir="ltr"><font style="font-size:11pt" face="Calibri, sans-serif" color="#000000"><b>From:</b> Wien <<a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at" target="_blank">wien-bounces@zeus.theochem.tuwien.ac.at</a>>
on behalf of shamik chakrabarti <<a href="mailto:shamik15041981@gmail.com" target="_blank">shamik15041981@gmail.com</a>><br>
<b>Sent:</b> Sunday, February 16, 2020 5:21 PM<br>
<b>To:</b> A Mailing list for WIEN2k users<br>
<b>Subject:</b> Re: [Wien] Error in nlvdw</font>
<div>Â </div>
</div>
<div>
<div dir="ltr">Dear Prof. Tran,
<div><br>
</div>
<div>Â Â Â Â Â Â Â Â Â Â Â Thank you so much for your reply. I got it.</div>
<div><br>
</div>
<div>with regards,</div>
</div>
<br>
<div class="gmail_quote">
<div dir="ltr" class="gmail_attr">On Sun, 16 Feb 2020 at 21:48, Tran, Fabien <<a href="mailto:fabien.tran@tuwien.ac.at" target="_blank">fabien.tran@tuwien.ac.at</a>> wrote:<br>
</div>
<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div dir="ltr" style="font-size:12pt;color:rgb(0,0,0);background-color:rgb(255,255,255);font-family:Calibri,Arial,Helvetica,sans-serif">
<p>The RAM of the computer was probably not sufficient and the job got killed. For such large systems you need to do MPI parallel calculations by adding a line "nlvdw:..." in the file .machines (see user's guide for detail) and using option -p (runsp_lapw -p
...). You should also run the other modules (lapw0, lapw1, lapw2) in parallel.</p>
<p>Beside this, I will very soon (probably tomorrow) send to the mailing list updated Fortran files for the nlvdw module. With these updates, MPI calculations should be much faster.<br>
</p>
F. Tran
<p><br>
</p>
<div style="color:rgb(33,33,33)">
<hr style="display:inline-block;width:98%">
<div id="gmail-m_-39772652758952601gmail-m_4261440236847230168gmail-m_6131836678992024358divRplyFwdMsg" dir="ltr">
<font style="font-size:11pt" face="Calibri, sans-serif" color="#000000"><b>From:</b> Wien <<a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at" target="_blank">wien-bounces@zeus.theochem.tuwien.ac.at</a>> on behalf of shamik chakrabarti <<a href="mailto:shamik15041981@gmail.com" target="_blank">shamik15041981@gmail.com</a>><br>
<b>Sent:</b> Sunday, February 16, 2020 4:50 PM<br>
<b>To:</b> A Mailing list for WIEN2k users<br>
<b>Subject:</b> Re: [Wien] Error in nlvdw</font>
<div>Â </div>
</div>
<div>
<div dir="ltr">
<div dir="ltr">Dear Sir,<br>
<div><br>
</div>
<div>Â Â Â Â Â I am replying to each of queries as below;</div>
</div>
<br>
<div class="gmail_quote">
<div dir="ltr" class="gmail_attr">On Sun, 16 Feb 2020 at 20:35, Laurence Marks <<a href="mailto:laurence.marks@gmail.com" target="_blank">laurence.marks@gmail.com</a>> wrote:<br>
</div>
<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div dir="ltr">
<div style="font-family:verdana,sans-serif;color:rgb(0,0,0)">It is probably impossible for anyone to help you with so little information, beyond guesses which may be wrong.</div>
<div style="font-family:verdana,sans-serif;color:rgb(0,0,0)"><br>
</div>
<div style="font-family:verdana,sans-serif;color:rgb(0,0,0)">1) What information (errors) are in *.error, *.outputnlvdw, *.dayfile, :log ?</div>
</div>
</blockquote>
<div>Â </div>
<div>Â Â <b>Â in .error file;</b></div>
<div>Â Â Â Error in NLVDW<br>
</div>
<div><br>
</div>
<div>in <b>.outputnlvdw</b></div>
<div><b><br>
</b></div>
<div>kernel type = Â 1 (M. Dion et al., PRL 92, 246401 (2004))<br>
parameter Z_ab of kernel = Â Â -1.88700000<br>
gmax = Â 25.0<br>
density cutoff rhoc = 0.300E+00<br>
the NL-vdW potential is calculated with gmax_pot = Â 10.0<br>
<br>
n_max, m_max, p_max = Â Â 101 Â Â 101 Â Â 101<br>
ifft1, ifft2, ifft3 (for proc myid   0) =   203   203   203<br>
ifft1*ifft2*ifft3 (for proc myid   0) =   8365427<br>
Number of G-vectors (for proc myid   0) =   3099627<br>
<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
% Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â %<br>
% You are using vdW-DF, which was implemented by the Thonhauser group. %<br>
% Please cite the following two papers that made this development    %<br>
% possible and the two reviews that describe the various versions: Â Â %<br>
% Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â %<br>
% Â T. Thonhauser et al., PRL 115, 136402 (2015). Â Â Â Â Â Â Â Â Â Â Â %<br>
% Â T. Thonhauser et al., PRB 76, 125112 (2007). Â Â Â Â Â Â Â Â Â Â Â %<br>
% Â K. Berland et al., Rep. Prog. Phys. 78, 066501 (2015). Â Â Â Â Â Â %<br>
% Â D.C. Langreth et al., J. Phys.: Condens. Matter 21, 084203 (2009). %<br>
% Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â %<br>
% Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â %<br>
% If you are calculating the stress with vdW-DF, please also cite: Â Â %<br>
% Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â %<br>
% Â R. Sabatini et al., J. Phys.: Condens. Matter 24, 424209 (2012). Â %<br>
% Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â %<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
<br>
parameters of the kernel table:<br>
Nq = Â 30, lambda = 0.111292E+01, q(1) = 0.100000E-04, q_cut = 0.100000E+02<br>
Nr_points = Â 2000, r_max = Â 100.0<br>
q_mesh =<br>
   0.00001000   0.05312929   0.11224701   0.17804050<br>
   0.25126365   0.33275542   0.42344952   0.52438515<br>
   0.63671875   0.76173753   0.90087384   1.05572188<br>
   1.22805595   1.41985071   1.63330352   1.87086022<br>
   2.13524270   2.42948008   2.75694394   3.12138629<br>
   3.52698255   3.97838044   4.48075151   5.03985262<br>
   5.66208887   6.35459089   7.12529230   7.98302412<br>
   8.93761444   10.00000000<br>
</div>
<div>Â </div>
<div><b>Â case.dayfile</b>:</div>
<div><br>
</div>
<div>Â start (Sun Feb 16 20:49:03 IST 2020) with nlvdw (40/99 to go)<br>
</div>
<div>> Â nlvdw (20:49:03) 111.6u 0.8s 2:47.73 67.0% 0+0k 95536+32io 24pf+0w<br>
error: command  /usr/local/Wien2k/nlvdw nlvdw.def  failed<br>
<br>
> Â stop error<br>
</div>
<div><br>
</div>
<div>in <b>.log file</b>.</div>
<div><br>
</div>
<div>Sun Feb 16 11:53:50 IST 2020>; (x_lapw) nn -f setrmt<br>
Sun Feb 16 11:54:07 IST 2020>; (x) nn -up<br>
Sun Feb 16 11:54:23 IST 2020>; (x) sgroup -up<br>
Sun Feb 16 11:54:34 IST 2020>; (x) symmetry -up<br>
Sun Feb 16 11:54:52 IST 2020>; (x) lstart -up<br>
Sun Feb 16 11:55:32 IST 2020>; (x) kgen<br>
Sun Feb 16 11:55:38 IST 2020>; (x) kgen -up<br>
Sun Feb 16 11:55:47 IST 2020>; (x) dstart<br>
Sun Feb 16 11:56:29 IST 2020>; (x) dstart -up<br>
Sun Feb 16 11:56:58 IST 2020>; (x) dstart -dn<br>
Sun Feb 16 12:00:37 IST 2020>; (x) optimize -up<br>
Sun Feb 16 12:02:05 IST 2020>; (x) dstart -super -p<br>
Sun Feb 16 12:02:24 IST 2020>; (x) dstart -super -up -p<br>
Sun Feb 16 12:02:50 IST 2020>; (x) dstart -super -dn -p<br>
Sun Feb 16 12:03:11 IST 2020>; (x) dstart -p -super<br>
Sun Feb 16 12:03:31 IST 2020>; (x) clmaddsub<br>
Sun Feb 16 12:03:33 IST 2020>; (x) dstart -up -p -super<br>
Sun Feb 16 12:03:52 IST 2020>; (x) clmaddsub -up<br>
Sun Feb 16 12:03:53 IST 2020>; (x) dstart -dn -p -super<br>
Sun Feb 16 12:04:17 IST 2020>; (x) clmaddsub -dn<br>
>; Â (runsp_lapw) options: -nlvdw -ec 0.0001<br>
Sun Feb 16 12:04:19 IST 2020>; (x) nlvdw<br>
Sun Feb 16 20:44:14 IST 2020>; (x) dstart -super -p<br>
Sun Feb 16 20:45:03 IST 2020>; (x) dstart -super -up -p<br>
Sun Feb 16 20:45:51 IST 2020>; (x) dstart -super -dn -p<br>
Sun Feb 16 20:46:40 IST 2020>; (x) dstart -p -super<br>
Sun Feb 16 20:47:19 IST 2020>; (x) clmaddsub<br>
Sun Feb 16 20:47:22 IST 2020>; (x) dstart -up -p -super<br>
Sun Feb 16 20:48:08 IST 2020>; (x) clmaddsub -up<br>
Sun Feb 16 20:48:11 IST 2020>; (x) dstart -dn -p -super<br>
Sun Feb 16 20:48:59 IST 2020>; (x) clmaddsub -dn<br>
>; Â (runsp_lapw) options: -nlvdw -ec 0.0001<br>
Sun Feb 16 20:49:03 IST 2020>; (x) nlvdw<br>
</div>
<div>Â </div>
<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div dir="ltr">
<div style="font-family:verdana,sans-serif;color:rgb(0,0,0)">2) What omp are you using? What mpi?</div>
</div>
</blockquote>
<div>Â </div>
<div>Â Â OPENMP 201511 and Open MPI: 3.1.2 are used<br>
</div>
<div>Â </div>
<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div dir="ltr">
<div style="font-family:verdana,sans-serif;color:rgb(0,0,0)">3) What is the FFT size you are using, how much memory do you have?</div>
</div>
</blockquote>
<div>Â Â </div>
<div>  I am using 8 Gb Ram & I don't know how to check FFT size. </div>
<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div dir="ltr">
<div style="font-family:verdana,sans-serif;color:rgb(0,0,0)"><br>
</div>
<div style="font-family:verdana,sans-serif;color:rgb(0,0,0)">A guess; the FFT size is too large for your memory.</div>
</div>
</blockquote>
<div><br>
</div>
<div> with regards, </div>
<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<br>
<div class="gmail_quote">
<div dir="ltr" class="gmail_attr">On Sun, Feb 16, 2020 at 1:07 AM shamik chakrabarti <<a href="mailto:shamik15041981@gmail.com" target="_blank">shamik15041981@gmail.com</a>> wrote:<br>
</div>
<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div dir="ltr">Dear Wien2k users,
<div><br>
</div>
<div>Â Â Â Â Â Â Â Â Â Â Â Â Â I was trying to simulate structural optimization of an Li-Sn alloy using nlvdw functionalÂ
<b>rev-vdW-DF2. </b>I have successfully used this functional for other simple structures like SnS2.<b> </b>However, I have encountered an error in the first cycle as "Error in NLVDW" this time. I have attached the struct file herewith this mail. </div>
<div><br>
</div>
<div>Looking forward to hearing from you. However, if any other information is required, please let me know. Thanks in advance.</div>
<div><br>
</div>
<div>with regards,</div>
<div><br>
-- <br>
<div dir="ltr">
<div dir="ltr">
<div>
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div style="font-size:small">Dr. Shamik Chakrabarti</div>
<div style="font-size:small">Research Fellow </div>
<div style="font-size:small">Department of Physics</div>
<div style="font-size:small">Indian Institute of Technology Patna</div>
<div style="font-size:small">Bihta-801103</div>
<div style="font-size:small">Patna</div>
<div style="font-size:small">Bihar, India</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
_______________________________________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank">Wien@zeus.theochem.tuwien.ac.at</a><br>
<a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__zeus.theochem.tuwien.ac.at_mailman_listinfo_wien&d=DwICAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=Ig_mCvVEvJfJ-x2HbGafYCKXEX823vt9q7rGg_WxL4o&s=KBNlt6LeHe6Q8zT5Lf4PLsu6ZsI8mSNzvmE9r2QuPZw&e=" rel="noreferrer" target="_blank">https://urldefense.proofpoint.com/v2/url?u=http-3A__zeus.theochem.tuwien.ac.at_mailman_listinfo_wien&d=DwICAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=Ig_mCvVEvJfJ-x2HbGafYCKXEX823vt9q7rGg_WxL4o&s=KBNlt6LeHe6Q8zT5Lf4PLsu6ZsI8mSNzvmE9r2QuPZw&e=</a>
<br>
SEARCH the MAILING-LIST at:Â <a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_index.html&d=DwICAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=Ig_mCvVEvJfJ-x2HbGafYCKXEX823vt9q7rGg_WxL4o&s=P6SDIOEVe-9DZ_PeReUPnF4fcDs81uasz7VNznz6BNE&e=" rel="noreferrer" target="_blank">
https://urldefense.proofpoint.com/v2/url?u=http-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_index.html&d=DwICAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=Ig_mCvVEvJfJ-x2HbGafYCKXEX823vt9q7rGg_WxL4o&s=P6SDIOEVe-9DZ_PeReUPnF4fcDs81uasz7VNznz6BNE&e=</a>
<br>
</blockquote>
</div>
<br clear="all">
<div><br>
</div>
-- <br>
<div dir="ltr">
<div dir="ltr">Professor Laurence Marks<br>
Department of Materials Science and Engineering<br>
Northwestern University<br>
<a href="http://www.numis.northwestern.edu/" target="_blank">www.numis.northwestern.edu</a>
<div>Corrosion in 4D: <a href="http://www.numis.northwestern.edu/MURI" target="_blank">
www.numis.northwestern.edu/MURI</a><br>
Co-Editor, Acta Cryst A<br>
"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>
Albert Szent-Gyorgi</div>
</div>
</div>
_______________________________________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank">Wien@zeus.theochem.tuwien.ac.at</a><br>
<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" rel="noreferrer" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>
SEARCH the MAILING-LIST at:Â <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" rel="noreferrer" target="_blank">
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br>
</blockquote>
</div>
<br clear="all">
<div><br>
</div>
-- <br>
<div dir="ltr">
<div dir="ltr">
<div>
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div style="font-size:small">Dr. Shamik Chakrabarti</div>
<div style="font-size:small">Research Fellow </div>
<div style="font-size:small">Department of Physics</div>
<div style="font-size:small">Indian Institute of Technology Patna</div>
<div style="font-size:small">Bihta-801103</div>
<div style="font-size:small">Patna</div>
<div style="font-size:small">Bihar, India</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
_______________________________________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank">Wien@zeus.theochem.tuwien.ac.at</a><br>
<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" rel="noreferrer" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>
SEARCH the MAILING-LIST at:Â <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" rel="noreferrer" target="_blank">
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br>
</blockquote>
</div>
<br clear="all">
<div><br>
</div>
-- <br>
<div dir="ltr">
<div dir="ltr">
<div>
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div style="font-size:small">Dr. Shamik Chakrabarti</div>
<div style="font-size:small">Research Fellow </div>
<div style="font-size:small">Department of Physics</div>
<div style="font-size:small">Indian Institute of Technology Patna</div>
<div style="font-size:small">Bihta-801103</div>
<div style="font-size:small">Patna</div>
<div style="font-size:small">Bihar, India</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
_______________________________________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank">Wien@zeus.theochem.tuwien.ac.at</a><br>
<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" rel="noreferrer" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>
SEARCH the MAILING-LIST at:Â <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" rel="noreferrer" target="_blank">
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br>
</blockquote>
</div>
<br clear="all">
<div><br>
</div>
-- <br>
<div dir="ltr">
<div dir="ltr">
<div>
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div style="font-size:small">Dr. Shamik Chakrabarti</div>
<div style="font-size:small">Research Fellow </div>
<div style="font-size:small">Department of Physics</div>
<div style="font-size:small">Indian Institute of Technology Patna</div>
<div style="font-size:small">Bihta-801103</div>
<div style="font-size:small">Patna</div>
<div style="font-size:small">Bihar, India</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
_______________________________________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank">Wien@zeus.theochem.tuwien.ac.at</a><br>
<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" rel="noreferrer" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>
SEARCH the MAILING-LIST at:Â <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" rel="noreferrer" target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br>
</blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div style="font-size:small">Dr. Shamik Chakrabarti</div><div style="font-size:small">Research Fellow </div><div style="font-size:small">Department of Physics</div><div style="font-size:small">Indian Institute of Technology Patna</div><div style="font-size:small">Bihta-801103</div><div style="font-size:small">Patna</div><div style="font-size:small">Bihar, India</div></div></div></div></div></div></div></div>