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</o:shapelayout></xml><![endif]--></head><body lang=EN-US link=blue vlink=purple><div class=WordSection1><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'>Hi,<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'>Thank you for the suggestion. I will try to go from gygi_baldereschi to vcut_ws as exxdiv_treatment. <o:p></o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'>Regards,<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'>Valentina<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'><o:p> </o:p></span></p><p class=MsoNormal><span lang=IT style='font-size:10.0pt;font-family:"Tahoma","sans-serif";color:black'>Valentina Dellacą<br>Group Materials Labs<br>PA&CT – Virtual Analysis & Materials Modelling<br><br> <br>Centro Ricerche Fiat S.C.p.A.<br>Sede legale e amministrativa: Strada Torino, 50<br>10043 Orbassano (TO), Italia<br>Tel +39 011 9083138<br>Fax +39 011 9083666<br><br></span><span style='font-size:10.0pt;font-family:"Tahoma","sans-serif";color:black'><a href="http://www.crf.it"><span lang=IT>www.crf.it</span></a></span><span style='font-size:10.0pt;font-family:"Tahoma","sans-serif";color:black'> <span lang=IT><o:p></o:p></span></span></p><p class=MsoNormal><span lang=IT style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'><o:p> </o:p></span></p><p class=MsoNormal><b><span lang=IT style='font-size:10.0pt;font-family:"Segoe UI","sans-serif"'>Da:</span></b><span lang=IT style='font-size:10.0pt;font-family:"Segoe UI","sans-serif"'> pw_forum-bounces@pwscf.org [mailto:pw_forum-bounces@pwscf.org] <b>Per conto di </b>mohnish pandey<br><b>Inviato:</b> giovedģ 30 gennaio 2014 11:16<br><b>A:</b> PWSCF Forum<br><b>Oggetto:</b> Re: [Pw_forum] hybrid calculation with dexx negative<o:p></o:p></span></p><p class=MsoNormal><o:p> </o:p></p><div><p class=MsoNormal>Hi Valentina,<br><br>May be it will help: <a href="http://qe-forge.org/pipermail/pw_forum/2013-November/102690.html">http://qe-forge.org/pipermail/pw_forum/2013-November/102690.html</a><o:p></o:p></p></div><div><p class=MsoNormal style='margin-bottom:12.0pt'><o:p> </o:p></p><div><p class=MsoNormal>On Thu, Jan 30, 2014 at 10:52 AM, DELLACA' Valentina (CRF) <<a href="mailto:valentina.dellaca@crf.it" target="_blank">valentina.dellaca@crf.it</a>> wrote:<o:p></o:p></p><div><div><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'>Dear all,<o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'>We are performing surface calculations with hybrid functional, and for the following surface structure at the moment the error saying: ‘dexx is negative, error # 1 , check that exxdiv_treatment is appropriate for the system’ is giving us some troubles. We already tried to change the distance between surfaces, changing celldm(3), around its optimized value 2.39, we changed also mixing_beta to 0.3, and we tried with few different k point grids. None of this attempt was successful in solving the error. We also changed the occupations to smearing, and we gave a small degauss (1d-20), but then (with many celldm(3)) it was not even converging the first scf.<o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'>Any suggestion on how to fix this error?<o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'>Thank you,<o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'>Regards,<o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'>Valentina<o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'> <o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'>&CONTROL</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'> calculation = 'scf',</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'> restart_mode = 'from_scratch',</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'> outdir = '',</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'> </span><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>pseudo_dir </span><span lang=IT> </span><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>= '',</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'> prefix = 'ta2o5' ,</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'> disk_io = 'default',</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'>/</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'> &SYSTEM</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'> ibrav = 8,</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'> celldm(1) = 14.241893092,</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'> celldm(2) = 0.822831603,</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'> celldm(3) = 2.39,</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'> nat = 38,</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'> ntyp = 2,</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'> ecutwfc=70, nbnd=700, occupations='fixed',</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'> input_dft = 'PBE0',</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'> exxdiv_treatment = 'gygi-baldereschi'</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'> x_gamma_extrapolation=.true.</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'> nqx1 = 1 , nqx2 = 1, nqx3 = 1</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'>/</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'>&electrons</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'> conv_thr=1.0d-9, mixing_beta=0.5</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'>/</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'>ATOMIC_SPECIES</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'>Ta 180.95 Ta.pbe-mt-fhi.UPF</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>O 15.999 O.pbe-mt-fhi.UPF</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'> </span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'> </span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'><span lang=IT> </span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'>ATOMIC_POSITIONS (angstrom)</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'>O 0.813278477 4.617988459 8.007774872</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'>O 2.023476210 0.776972843 8.441046448</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>Ta 1.546871435 2.767467670 7.799599600</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>O 3.366054079 3.877523758 8.440539307</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>Ta 3.843027211 5.867856582 7.799473875</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>O 5.792152399 5.359043398 8.438587876</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>Ta 5.314346183 3.366897623 7.799507537</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>O <a href="tel:4.577766398" target="_blank">4.577766398</a> 1.516932685 8.008262086</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>O 7.134074123 2.258690100 8.438344309</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'>Ta 7.612245398 0.266340494 7.800172819</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'>O 3.496914324 5.857316984 5.883545751</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'>O 5.660946844 3.375012981 5.883534436</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'>O 1.890303432 2.756178342 5.883603671</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'>O 7.271488124 0.274248516 5.883520878</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>O 5.637305636 5.330921586 3.862497327</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>O 3.523414777 3.905957403 3.865060769</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>O 0.813798912 4.618557268 3.867613313</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>O 1.868771197 0.805909423 3.864412229</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>O <a href="tel:4.578829938" target="_blank">4.578829938</a> 1.517577526 3.866842485</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>O 7.290961638 2.230024951 3.864847639</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>O 3.497903745 5.858106076 1.841803379</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>O 1.888736406 2.757775274 1.841813170</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>O 5.659923444 3.372905841 1.841275566</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>O 7.273010266 0.273369852 1.841504469</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>O 5.792500075 5.359007930 -0.713580871</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>O 3.366000630 3.876131545 -0.715282591</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>O 0.813543928 4.618155682 -0.280250553</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>O 2.025151305 0.776423231 -0.714789822</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>O <a href="tel:4.578389288" target="_blank">4.578389288</a> 1.516157053 -0.281620473</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>O 7.134187444 2.259560146 -0.714019402</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>Ta 3.631274701 5.991239815 3.862567887</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>Ta 1.760248756 2.890622602 3.862584360</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>Ta 5.528096689 3.245167855 3.862383012</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>Ta 7.400881489 0.144629430 3.862458735</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>Ta 7.613260471 0.266812681 -0.075602588</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>Ta 5.314089138 3.366439123 -0.075243654</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span lang=IT style='font-size:10.0pt;font-family:"Courrier New"'>Ta 3.843827877 5.867144678 -0.074583652</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'>Ta 1.546399836 2.767291744 -0.074953513</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'> </span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'> </span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'> </span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'>K_POINTS {automatic}</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-autospace:none'><span style='font-size:10.0pt;font-family:"Courrier New"'>2 2 1 0 0 0</span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'><span lang=IT> </span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'><span lang=IT style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'>Valentina Dellacą<br>Group Materials Labs<br>PA&CT – Virtual Analysis & Materials Modelling<br><br> <br>Centro Ricerche Fiat S.C.p.A.<br>Sede legale e amministrativa: Strada Torino, 50<br>10043 Orbassano (TO), Italia<br>Tel <a href="tel:%2B39%20011%209083138" target="_blank">+39 011 9083138</a><br>Fax <a href="tel:%2B39%20011%209083666" target="_blank">+39 011 9083666</a><br><br></span><span style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'><a href="http://www.crf.it" target="_blank"><span lang=IT>www.crf.it</span></a> </span><o:p></o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'><span lang=IT> </span><o:p></o:p></p></div></div><p class=MsoNormal><br>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br><a href="http://pwscf.org/mailman/listinfo/pw_forum" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><o:p></o:p></p></div><p class=MsoNormal><br><br clear=all><br>-- <o:p></o:p></p><div><p class=MsoNormal>Regards,<br>MOHNISH,<br>-----------------------------------------------------------------<br>Mohnish Pandey,<br>PhD Student,<br>Center for Atomic-scale Materials Design,<br>Department of Physics,<br>Technical University of Denmark<o:p></o:p></p><div><p class=MsoNormal>-----------------------------------------------------------------<o:p></o:p></p></div></div></div></div></body></html>