<div dir="ltr"><div class="gmail_default" style="font-size:large">Hi Muhammad,</div><div class="gmail_default" style=""><font size="4">in the below section of cp2k, what should I include extra so that it produces the total of d-orbital?</font><br><font size="4"><br></font></div><div class="gmail_default" style=""><font size="4"> &PRINT<br style=""> &PDOS<br style=""> &EACH<br style=""> MD 1<br style=""> &END EACH<br style=""> &END PDOS</font><br></div><div class="gmail_default" style=""><font size="4">This section, in this form, produces an individual magnetic number PDOS of each orbitals, as you mentioned. Thanks.</font></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, 19 Aug 2024 at 17:53, Muhammad Saleh <<a href="mailto:captainmozak@gmail.com">captainmozak@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">Hi Arka, <br><br>If you want to produce the total of d-orbital, then you just have assigned it from cp2k, the Python script only does the smoothing and unit transformation. The output you have specifies the PDOS corresponding to the magnetic quantum number of the d-orbital. For instance, d0 represents PDOS along the z-axis, while d+1 represents PDOS along the xz-plane, etc. <br><br>Best<br>MuS</div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, Aug 19, 2024 at 2:08 PM Arka Prava Sarkar <<a href="mailto:sarkar.arkaprava200@gmail.com" target="_blank">sarkar.arkaprava200@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 class="gmail_default" style="font-size:large">Hi Muhammed,</div><div class="gmail_default" style="font-size:large">Thank you for the reference. So I guess, there is no way I can combine all the columns and plot as one single d orbital. I need to plot it separately. Thank you.</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, 19 Aug 2024 at 17:36, Muhammad Saleh <<a href="mailto:captainmozak@gmail.com" target="_blank">captainmozak@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">Hi Arka <br><br>If you plot the d orbital from the output, it will be like the figure I attach, collumn 6 to 10, you simply plot it <br><br>Best<br>MuS</div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, Aug 19, 2024 at 12:17 PM Arka Prava Sarkar <<a href="mailto:sarkar.arkaprava200@gmail.com" target="_blank">sarkar.arkaprava200@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 class="gmail_default" style="font-size:large">Hi Arup,</div><div class="gmail_default" style="font-size:large">I am stuck on the part of plotting the d orbitals actually, since it has multiple columns. Also, Xmgrace will not be using convoluted gaussians.</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, 19 Aug 2024 at 15:44, Arup Sarkar <<a href="mailto:arupsarkar1398@gmail.com" target="_blank">arupsarkar1398@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">Hi Arka,<div><br></div><div>You can use Xmgrace software to plot the PDOS directly.</div><div><br></div><div><br clear="all"><div><div dir="ltr" class="gmail_signature"><div dir="ltr"><div dir="ltr"><div dir="ltr"><span style="font-size:11pt"><font face="arial, sans-serif">Dr. Arup Sarkar</font></span></div><div><span style="font-size:11pt"><font face="times new roman, serif">Postdoctoral Researcher </font></span></div><div><span style="font-size:14.6667px"><font face="times new roman, serif">Max Planck Institute for Polymer Research</font></span></div><div><span style="font-size:14.6667px"><font face="times new roman, serif">Theory (Andrienko Group)</font></span></div><div><span style="font-size:14.6667px"><font face="times new roman, serif">Ackermannweg 10</font></span></div><div><span style="font-size:14.6667px"><font face="times new roman, serif">Mainz 55128, Germany</font></span></div><div><span style="font-size:14.6667px"><font face="times new roman, serif">Webpage: </font></span><font face="times new roman, serif"><span style="font-size:14.6667px"><a href="https://arupsarkar91.github.io/" target="_blank">https://arupsarkar91.github.io/</a></span></font></div></div></div></div></div><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, Aug 19, 2024 at 12:10 PM Arka Prava Sarkar <<a href="mailto:sarkar.arkaprava200@gmail.com" target="_blank">sarkar.arkaprava200@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 class="gmail_default" style="font-size:large">Hi Muhammed,</div><div class="gmail_default" style="font-size:large">I am attaching one of the PDOS file that I am using here. The file has density columns as s, px, py, pz, d-2, d-1, etc. Now, suppose I want to plot the d orbital only for this file. d orbital will have the columns d-2 to d+2. I am trying to implement the code developed by Tiziano (link: <a href="https://raw.githubusercontent.com/dev-zero/cp2k-tools/master/scripts/cp2k_pdos.py" target="_blank">https://raw.githubusercontent.com/dev-zero/cp2k-tools/master/scripts/cp2k_pdos.py</a>). In this code, I need to make changes in the "DENSITY_COLUMN". However, it is taking only one value. For multiple columns, how to change the code? Thanks.</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, 19 Aug 2024 at 14:42, Muhammad Saleh <<a href="mailto:captainmozak@gmail.com" target="_blank">captainmozak@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">Hi Arka,<br><br>The output from CP2K if you use the PDOS flag is several PDOS files that respect the element of your system, which is also applied when you smooth it. To identify which element is which, simply plot the data based on the specified column. For instance, if one of your elements had s, p, and d orbitals, then the output would be <br><br><Energy> <s_orbital> <p_orbital> <d_orbital><br>... ... ... ... <div><br>If you check your PDOS files, you can see the details of the orbital of each element in your system.<br><br>Best<br>MuS</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sun, Aug 18, 2024 at 12:53 PM Arka Prava Sarkar <<a href="mailto:sarkar.arkaprava200@gmail.com" target="_blank">sarkar.arkaprava200@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 class="gmail_default" style="font-size:large">Hi Muahmmed,</div><div class="gmail_default" style="font-size:large">I tried to plot the DOS and PDOS with the python codes, however, I can't figure out how to plot the individual PDOS, for example, the d orbital of the Pt(111) surface using the code. Any suggestions? Thanks</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, 13 Aug 2024 at 18:37, Muhammad Saleh <<a href="mailto:captainmozak@gmail.com" target="_blank">captainmozak@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">Hi Arka <br><br><div>Ok, then you need to smooth it out. You can use the script from here: <a href="https://wiki.wpi.edu/deskinsgroup/Density_of_States" target="_blank">https://wiki.wpi.edu/deskinsgroup/Density_of_States</a>. <br>or if you go down on the exercise link I previously sent, then you may find a Python script for the smoothing. Hope it help<br><br>Best<br>MuS</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Aug 13, 2024 at 1:23 PM Arka Prava Sarkar <<a href="mailto:sarkar.arkaprava200@gmail.com" target="_blank">sarkar.arkaprava200@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"><p dir="ltr">Hi Muhammed,<br> I have calculated PDOS in a separate input file, using the same flags you have mentioned. My issue is about the fluctuations. Thanks. </p> <div>Thanks & Regards,<br>অর্ক প্রভ সরকার<br>Arka Prava Sarkar<br>বৃত্তিজীবী বাচম্পত্যাধয়নকারী<br>Research Scholar (Ph.D.),<br>গণনা এবং তথ্য বিজ্ঞান কেন্দ্র<br>Centre for Computational and Data Science (CCDS)<br>ভারতীয় প্রযুক্তি প্রতিষ্ঠান, খড়গপুর<br>Indian Institute of Technology, Kharagpur<br>পশ্চিমবঙ্গ-721302<br>West Bengal -721302<br>India<br>Email1 : <a href="mailto:sarkar.arkaprava200@gmail.com" target="_blank">sarkar.arkaprava200@gmail.com</a><br>Email2 : <a href="mailto:arkaps.ccds@iitkgp.ac.in" target="_blank">arkaps.ccds@iitkgp.ac.in</a></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Aug 13, 2024, 4:52 PM Muhammad Saleh <<a href="mailto:captainmozak@gmail.com" target="_blank">captainmozak@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">Hi Arka<br><br>In order to evaluate the PDOS, I believe you should also put PDOS on the print section <br>...<br> &PRINT<br> &PDOS<br> &EACH<br> MD 1<br> &END EACH<br> &END PDOS<br><div>.....</div><div><br></div><div>you can find the details on the cp2k excercise <a href="https://www.cp2k.org/exercises:2016_uzh_cmest:calculating_pdos" rel="noreferrer" target="_blank">https://www.cp2k.org/exercises:2016_uzh_cmest:calculating_pdos</a><br><br>best<br>MuS</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Aug 13, 2024 at 12:46 PM Arka Prava Sarkar <<a href="mailto:sarkar.arkaprava200@gmail.com" rel="noreferrer" target="_blank">sarkar.arkaprava200@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 class="gmail_default" style="font-size:large">Dear Users,</div><div class="gmail_default" style="font-size:large">I am trying to calculate the DOS and PDOS of a Pt(111)-Ionic Liquid interfacial system. Upon calculating, the DOS and PDOS obtained shows a large fluctuation of the Pt(111) system. I am unable to figure out the reason behind this and how to resolve the issue. Any help will be appreciated. I am attaching the DOS and PDOS plot along with the input file. Thanks in advance.</div><div><br></div><span class="gmail_signature_prefix">-- </span><br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div><i><font face="arial, sans-serif" style="font-family:arial,Bangla463,sans-serif"><b><img width="85" height="96" src="https://ci3.googleusercontent.com/mail-sig/AIorK4wqMR_J19274oEsVMe6V20ahjjRMMVPe8G91Hin3FolzfRkpiu10TH52Y-OmcSg8f3gNwcgHbFvxwgW"><br></b></font></i></div><div><i><font face="arial, sans-serif" style="font-family:arial,Bangla463,sans-serif" size="4"><b>Thanks and Regards,</b></font></i></div><div><i><font size="4"><font face="arial, Bangla463, sans-serif"><b>অর্ক প্রভ সরকার</b></font><br></font></i></div><div dir="ltr"><font size="4"> <i>Arka Prava Sarkar</i></font></div><div dir="ltr"><span style="color:rgb(34,34,34)"><font size="4"><b>বৃত্তিজীবী বাচস্পত্যাধয়নকারী</b></font></span><font size="4"><i><br></i></font><div><i><font size="4">Research Scholar (Ph.D.), </font></i></div><div><i><font size="4"><b>গণনা এবং তথ্য বিজ্ঞান কেন্দ্র </b><br></font></i></div><div><i><font size="4">Centre for Computational and Data Sciences (CCDS)</font></i></div><div><i><font size="4"><b>ভারতীয় প্রযুক্তি প্রতিষ্ঠান, খড়গপুর</b><br></font></i></div><div><i><font size="4">Indian Institute of Technology, Kharagpur</font></i></div><div><i><font size="4"><b>পশ্চিমবঙ্গ - ৭২১৩০২</b> <br></font></i></div><div><i><font size="4">West Bengal-721302</font></i></div><div><i><font size="4">email1 : <a href="mailto:sarkar.arkaprava200@gmail.com" rel="noreferrer" target="_blank">sarkar.arkaprava200@gmail.com</a></font></i></div><div><i><font size="4">email2 : <a href="mailto:arkaps.ccds@iitkgp.ac.in" rel="noreferrer" target="_blank">arkaps.ccds@iitkgp.ac.in</a></font></i></div><div><a href="http://www.linkedin.com/in/quantum-arka-phys-497052" rel="noreferrer" target="_blank"><img src="https://ci3.googleusercontent.com/mail-sig/AIorK4yINZH29vLvFlb7PKlC5r-BLAXA56y1GNfWCGPmab7scL-ktsSjc6Nnik-ANx5qBpemJbZ-kdgEXseu"></a><br></div></div></div></div></div></div></div></div></div></div></div></div></div></div> <p></p> -- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com" rel="noreferrer" target="_blank">cp2k+unsubscribe@googlegroups.com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CAMedUiqoxb3osZEB2iUDAe8SD31TpQ7R3oqmfLkQTk-SR2C_ZA%40mail.gmail.com?utm_medium=email&utm_source=footer" rel="noreferrer" target="_blank">https://groups.google.com/d/msgid/cp2k/CAMedUiqoxb3osZEB2iUDAe8SD31TpQ7R3oqmfLkQTk-SR2C_ZA%40mail.gmail.com</a>.<br> </blockquote></div> <p></p> -- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com" rel="noreferrer" target="_blank">cp2k+unsubscribe@googlegroups.com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CAPD_w6w4KwkNDnBF%2B8rq0MqiBU_0UdozY%2BCn-Q1b60PrgRq6ew%40mail.gmail.com?utm_medium=email&utm_source=footer" rel="noreferrer" target="_blank">https://groups.google.com/d/msgid/cp2k/CAPD_w6w4KwkNDnBF%2B8rq0MqiBU_0UdozY%2BCn-Q1b60PrgRq6ew%40mail.gmail.com</a>.<br> </blockquote></div> <p></p> -- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com" target="_blank">cp2k+unsubscribe@googlegroups.com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CAMedUip3GBqz0C4BX3X1FmJPUZDL9w%2BMZqnA_HcAdNM4CnLs9Q%40mail.gmail.com?utm_medium=email&utm_source=footer" target="_blank">https://groups.google.com/d/msgid/cp2k/CAMedUip3GBqz0C4BX3X1FmJPUZDL9w%2BMZqnA_HcAdNM4CnLs9Q%40mail.gmail.com</a>.<br> </blockquote></div> <p></p> -- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com" target="_blank">cp2k+unsubscribe@googlegroups.com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CAPD_w6w8A-vGLy52r9T7nJSditk0%3DsuTzfGEoXLeD9gyZbiBcw%40mail.gmail.com?utm_medium=email&utm_source=footer" target="_blank">https://groups.google.com/d/msgid/cp2k/CAPD_w6w8A-vGLy52r9T7nJSditk0%3DsuTzfGEoXLeD9gyZbiBcw%40mail.gmail.com</a>.<br> </blockquote></div><br clear="all"><div><br></div><span class="gmail_signature_prefix">-- </span><br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div><i><font face="arial, sans-serif" style="font-family:arial,Bangla463,sans-serif"><b><img width="85" height="96" src="https://ci3.googleusercontent.com/mail-sig/AIorK4wqMR_J19274oEsVMe6V20ahjjRMMVPe8G91Hin3FolzfRkpiu10TH52Y-OmcSg8f3gNwcgHbFvxwgW"><br></b></font></i></div><div><i><font face="arial, sans-serif" style="font-family:arial,Bangla463,sans-serif" size="4"><b>Thanks and Regards,</b></font></i></div><div><i><font size="4"><font face="arial, Bangla463, sans-serif"><b>অর্ক প্রভ সরকার</b></font><br></font></i></div><div dir="ltr"><font size="4"> <i>Arka Prava Sarkar</i></font></div><div dir="ltr"><span style="color:rgb(34,34,34)"><font size="4"><b>বৃত্তিজীবী বাচস্পত্যাধয়নকারী</b></font></span><font size="4"><i><br></i></font><div><i><font size="4">Research Scholar (Ph.D.), </font></i></div><div><i><font size="4"><b>গণনা এবং তথ্য বিজ্ঞান কেন্দ্র </b><br></font></i></div><div><i><font size="4">Centre for Computational and Data Sciences (CCDS)</font></i></div><div><i><font size="4"><b>ভারতীয় প্রযুক্তি প্রতিষ্ঠান, খড়গপুর</b><br></font></i></div><div><i><font size="4">Indian Institute of Technology, Kharagpur</font></i></div><div><i><font size="4"><b>পশ্চিমবঙ্গ - ৭২১৩০২</b> <br></font></i></div><div><i><font size="4">West Bengal-721302</font></i></div><div><i><font size="4">email1 : <a href="mailto:sarkar.arkaprava200@gmail.com" target="_blank">sarkar.arkaprava200@gmail.com</a></font></i></div><div><i><font size="4">email2 : <a href="mailto:arkaps.ccds@iitkgp.ac.in" target="_blank">arkaps.ccds@iitkgp.ac.in</a></font></i></div><div><a href="http://www.linkedin.com/in/quantum-arka-phys-497052" target="_blank"><img src="https://ci3.googleusercontent.com/mail-sig/AIorK4yINZH29vLvFlb7PKlC5r-BLAXA56y1GNfWCGPmab7scL-ktsSjc6Nnik-ANx5qBpemJbZ-kdgEXseu"></a><br></div></div></div></div></div></div></div></div></div></div></div></div></div> <p></p> -- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com" target="_blank">cp2k+unsubscribe@googlegroups.com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CAMedUio-wun2xHOnyJ6wSq40hrSAcdNpbHpZHxzuiyGg9biHEw%40mail.gmail.com?utm_medium=email&utm_source=footer" target="_blank">https://groups.google.com/d/msgid/cp2k/CAMedUio-wun2xHOnyJ6wSq40hrSAcdNpbHpZHxzuiyGg9biHEw%40mail.gmail.com</a>.<br> </blockquote></div> <p></p> -- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com" target="_blank">cp2k+unsubscribe@googlegroups.com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CAPD_w6yBN-nkbgcwzmD-1pOYpoxRDE3QrEQV4QgaKYCedrs7BQ%40mail.gmail.com?utm_medium=email&utm_source=footer" target="_blank">https://groups.google.com/d/msgid/cp2k/CAPD_w6yBN-nkbgcwzmD-1pOYpoxRDE3QrEQV4QgaKYCedrs7BQ%40mail.gmail.com</a>.<br> </blockquote></div><br clear="all"><div><br></div><span class="gmail_signature_prefix">-- </span><br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div><i><font face="arial, sans-serif" style="font-family:arial,Bangla463,sans-serif"><b><img width="85" height="96" src="https://ci3.googleusercontent.com/mail-sig/AIorK4wqMR_J19274oEsVMe6V20ahjjRMMVPe8G91Hin3FolzfRkpiu10TH52Y-OmcSg8f3gNwcgHbFvxwgW"><br></b></font></i></div><div><i><font face="arial, sans-serif" style="font-family:arial,Bangla463,sans-serif" size="4"><b>Thanks and Regards,</b></font></i></div><div><i><font size="4"><font face="arial, Bangla463, sans-serif"><b>অর্ক প্রভ সরকার</b></font><br></font></i></div><div dir="ltr"><font size="4"> <i>Arka Prava Sarkar</i></font></div><div dir="ltr"><span style="color:rgb(34,34,34)"><font size="4"><b>বৃত্তিজীবী বাচস্পত্যাধয়নকারী</b></font></span><font size="4"><i><br></i></font><div><i><font size="4">Research Scholar (Ph.D.), </font></i></div><div><i><font size="4"><b>গণনা এবং তথ্য বিজ্ঞান কেন্দ্র </b><br></font></i></div><div><i><font size="4">Centre for Computational and Data Sciences (CCDS)</font></i></div><div><i><font size="4"><b>ভারতীয় প্রযুক্তি প্রতিষ্ঠান, খড়গপুর</b><br></font></i></div><div><i><font size="4">Indian Institute of Technology, Kharagpur</font></i></div><div><i><font size="4"><b>পশ্চিমবঙ্গ - ৭২১৩০২</b> <br></font></i></div><div><i><font size="4">West Bengal-721302</font></i></div><div><i><font size="4">email1 : <a href="mailto:sarkar.arkaprava200@gmail.com" target="_blank">sarkar.arkaprava200@gmail.com</a></font></i></div><div><i><font size="4">email2 : <a href="mailto:arkaps.ccds@iitkgp.ac.in" target="_blank">arkaps.ccds@iitkgp.ac.in</a></font></i></div><div><a href="http://www.linkedin.com/in/quantum-arka-phys-497052" target="_blank"><img src="https://ci3.googleusercontent.com/mail-sig/AIorK4yINZH29vLvFlb7PKlC5r-BLAXA56y1GNfWCGPmab7scL-ktsSjc6Nnik-ANx5qBpemJbZ-kdgEXseu"></a><br></div></div></div></div></div></div></div></div></div></div></div></div></div> <p></p> -- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com" target="_blank">cp2k+unsubscribe@googlegroups.com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CAMedUiose5-yFEaNp6tCiuzDB_idti_L%2BfendTpe%2BGgnkhbybg%40mail.gmail.com?utm_medium=email&utm_source=footer" target="_blank">https://groups.google.com/d/msgid/cp2k/CAMedUiose5-yFEaNp6tCiuzDB_idti_L%2BfendTpe%2BGgnkhbybg%40mail.gmail.com</a>.<br> </blockquote></div> <p></p> -- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com" target="_blank">cp2k+unsubscribe@googlegroups.com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CAEYoAgX8%3DX1Cc8s4sc2_2Pq9ohLhXQcgoGciAzNq30Qq8E8Y9Q%40mail.gmail.com?utm_medium=email&utm_source=footer" target="_blank">https://groups.google.com/d/msgid/cp2k/CAEYoAgX8%3DX1Cc8s4sc2_2Pq9ohLhXQcgoGciAzNq30Qq8E8Y9Q%40mail.gmail.com</a>.<br> </blockquote></div><br clear="all"><div><br></div><span class="gmail_signature_prefix">-- </span><br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div><i><font face="arial, sans-serif" style="font-family:arial,Bangla463,sans-serif"><b><img width="85" height="96" src="https://ci3.googleusercontent.com/mail-sig/AIorK4wqMR_J19274oEsVMe6V20ahjjRMMVPe8G91Hin3FolzfRkpiu10TH52Y-OmcSg8f3gNwcgHbFvxwgW"><br></b></font></i></div><div><i><font face="arial, sans-serif" style="font-family:arial,Bangla463,sans-serif" size="4"><b>Thanks and Regards,</b></font></i></div><div><i><font size="4"><font face="arial, Bangla463, sans-serif"><b>অর্ক প্রভ সরকার</b></font><br></font></i></div><div dir="ltr"><font size="4"> <i>Arka Prava Sarkar</i></font></div><div dir="ltr"><span style="color:rgb(34,34,34)"><font size="4"><b>বৃত্তিজীবী বাচস্পত্যাধয়নকারী</b></font></span><font size="4"><i><br></i></font><div><i><font size="4">Research Scholar (Ph.D.), </font></i></div><div><i><font size="4"><b>গণনা এবং তথ্য বিজ্ঞান কেন্দ্র </b><br></font></i></div><div><i><font size="4">Centre for Computational and Data Sciences (CCDS)</font></i></div><div><i><font size="4"><b>ভারতীয় প্রযুক্তি প্রতিষ্ঠান, খড়গপুর</b><br></font></i></div><div><i><font size="4">Indian Institute of Technology, Kharagpur</font></i></div><div><i><font size="4"><b>পশ্চিমবঙ্গ - ৭২১৩০২</b> <br></font></i></div><div><i><font size="4">West Bengal-721302</font></i></div><div><i><font size="4">email1 : <a href="mailto:sarkar.arkaprava200@gmail.com" target="_blank">sarkar.arkaprava200@gmail.com</a></font></i></div><div><i><font size="4">email2 : <a href="mailto:arkaps.ccds@iitkgp.ac.in" target="_blank">arkaps.ccds@iitkgp.ac.in</a></font></i></div><div><a href="http://www.linkedin.com/in/quantum-arka-phys-497052" target="_blank"><img src="https://ci3.googleusercontent.com/mail-sig/AIorK4yINZH29vLvFlb7PKlC5r-BLAXA56y1GNfWCGPmab7scL-ktsSjc6Nnik-ANx5qBpemJbZ-kdgEXseu"></a><br></div></div></div></div></div></div></div></div></div></div></div></div></div> <p></p> -- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com" target="_blank">cp2k+unsubscribe@googlegroups.com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CAMedUirQhXYLf%2Byxif_zADm%2BT4iUYLLiN%3DEbVcmdHAY_rNf-dA%40mail.gmail.com?utm_medium=email&utm_source=footer" target="_blank">https://groups.google.com/d/msgid/cp2k/CAMedUirQhXYLf%2Byxif_zADm%2BT4iUYLLiN%3DEbVcmdHAY_rNf-dA%40mail.gmail.com</a>.<br> </blockquote></div> <p></p> -- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com" target="_blank">cp2k+unsubscribe@googlegroups.com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CAPD_w6z%2BCH%2BDrN5_8Y-JiSiW0eN0OdZ_VbxhgqvdfsPY1E5MbQ%40mail.gmail.com?utm_medium=email&utm_source=footer" target="_blank">https://groups.google.com/d/msgid/cp2k/CAPD_w6z%2BCH%2BDrN5_8Y-JiSiW0eN0OdZ_VbxhgqvdfsPY1E5MbQ%40mail.gmail.com</a>.<br> </blockquote></div><br clear="all"><div><br></div><span class="gmail_signature_prefix">-- </span><br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div><i><font face="arial, sans-serif" style="font-family:arial,Bangla463,sans-serif"><b><img width="85" height="96" src="https://ci3.googleusercontent.com/mail-sig/AIorK4wqMR_J19274oEsVMe6V20ahjjRMMVPe8G91Hin3FolzfRkpiu10TH52Y-OmcSg8f3gNwcgHbFvxwgW"><br></b></font></i></div><div><i><font face="arial, sans-serif" style="font-family:arial,Bangla463,sans-serif" size="4"><b>Thanks and Regards,</b></font></i></div><div><i><font size="4"><font face="arial, Bangla463, sans-serif"><b>অর্ক প্রভ সরকার</b></font><br></font></i></div><div dir="ltr"><font size="4"> <i>Arka Prava Sarkar</i></font></div><div dir="ltr"><span style="color:rgb(34,34,34)"><font size="4"><b>বৃত্তিজীবী বাচস্পত্যাধয়নকারী</b></font></span><font size="4"><i><br></i></font><div><i><font size="4">Research Scholar (Ph.D.), </font></i></div><div><i><font size="4"><b>গণনা এবং তথ্য বিজ্ঞান কেন্দ্র </b><br></font></i></div><div><i><font size="4">Centre for Computational and Data Sciences (CCDS)</font></i></div><div><i><font size="4"><b>ভারতীয় প্রযুক্তি প্রতিষ্ঠান, খড়গপুর</b><br></font></i></div><div><i><font size="4">Indian Institute of Technology, Kharagpur</font></i></div><div><i><font size="4"><b>পশ্চিমবঙ্গ - ৭২১৩০২</b> <br></font></i></div><div><i><font size="4">West Bengal-721302</font></i></div><div><i><font size="4">email1 : <a href="mailto:sarkar.arkaprava200@gmail.com" target="_blank">sarkar.arkaprava200@gmail.com</a></font></i></div><div><i><font size="4">email2 : <a href="mailto:arkaps.ccds@iitkgp.ac.in" target="_blank">arkaps.ccds@iitkgp.ac.in</a></font></i></div><div><a href="http://www.linkedin.com/in/quantum-arka-phys-497052" target="_blank"><img src="https://ci3.googleusercontent.com/mail-sig/AIorK4yINZH29vLvFlb7PKlC5r-BLAXA56y1GNfWCGPmab7scL-ktsSjc6Nnik-ANx5qBpemJbZ-kdgEXseu"></a><br></div></div></div></div></div></div></div></div></div></div></div></div></div> <p></p> -- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com" target="_blank">cp2k+unsubscribe@googlegroups.com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CAMedUirxTFTCh7e3WaJuPWAs_RpegUjBPxeqDm4cdt0heUAKTg%40mail.gmail.com?utm_medium=email&utm_source=footer" target="_blank">https://groups.google.com/d/msgid/cp2k/CAMedUirxTFTCh7e3WaJuPWAs_RpegUjBPxeqDm4cdt0heUAKTg%40mail.gmail.com</a>.<br> </blockquote></div> <p></p> -- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com" target="_blank">cp2k+unsubscribe@googlegroups.com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CAPD_w6x_7FVFWOee6tFNdk5bSfkFU66uFMCmaNj_2ufwqawHDQ%40mail.gmail.com?utm_medium=email&utm_source=footer" target="_blank">https://groups.google.com/d/msgid/cp2k/CAPD_w6x_7FVFWOee6tFNdk5bSfkFU66uFMCmaNj_2ufwqawHDQ%40mail.gmail.com</a>.<br> </blockquote></div><br clear="all"><div><br></div><span class="gmail_signature_prefix">-- </span><br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div><i><font face="arial, sans-serif" style="font-family:arial,Bangla463,sans-serif"><b><img width="85" height="96" src="https://ci3.googleusercontent.com/mail-sig/AIorK4wqMR_J19274oEsVMe6V20ahjjRMMVPe8G91Hin3FolzfRkpiu10TH52Y-OmcSg8f3gNwcgHbFvxwgW"><br></b></font></i></div><div><i><font face="arial, sans-serif" style="font-family:arial,Bangla463,sans-serif" size="4"><b>Thanks and Regards,</b></font></i></div><div><i><font size="4"><font face="arial, Bangla463, sans-serif"><b>অর্ক প্রভ সরকার</b></font><br></font></i></div><div dir="ltr"><font size="4"> <i>Arka Prava Sarkar</i></font></div><div dir="ltr"><span style="color:rgb(34,34,34)"><font size="4"><b>বৃত্তিজীবী বাচস্পত্যাধয়নকারী</b></font></span><font size="4"><i><br></i></font><div><i><font size="4">Research Scholar (Ph.D.), </font></i></div><div><i><font size="4"><b>গণনা এবং তথ্য বিজ্ঞান কেন্দ্র </b><br></font></i></div><div><i><font size="4">Centre for Computational and Data Sciences (CCDS)</font></i></div><div><i><font size="4"><b>ভারতীয় প্রযুক্তি প্রতিষ্ঠান, খড়গপুর</b><br></font></i></div><div><i><font size="4">Indian Institute of Technology, Kharagpur</font></i></div><div><i><font size="4"><b>পশ্চিমবঙ্গ - ৭২১৩০২</b> <br></font></i></div><div><i><font size="4">West Bengal-721302</font></i></div><div><i><font size="4">email1 : <a href="mailto:sarkar.arkaprava200@gmail.com" target="_blank">sarkar.arkaprava200@gmail.com</a></font></i></div><div><i><font size="4">email2 : <a href="mailto:arkaps.ccds@iitkgp.ac.in" target="_blank">arkaps.ccds@iitkgp.ac.in</a></font></i></div><div><a href="http://www.linkedin.com/in/quantum-arka-phys-497052" target="_blank"><img src="https://ci3.googleusercontent.com/mail-sig/AIorK4yINZH29vLvFlb7PKlC5r-BLAXA56y1GNfWCGPmab7scL-ktsSjc6Nnik-ANx5qBpemJbZ-kdgEXseu"></a><br></div></div></div></div></div></div></div></div></div></div></div></div></div> <p></p> -- <br /> You received this message because you are subscribed to the Google Groups "cp2k" group.<br /> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>.<br /> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CAMedUirvZu4Ow-KtdR%2BhsR%3DCvOsebd74ZouWX6VhHVYh%2BkA2XQ%40mail.gmail.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/CAMedUirvZu4Ow-KtdR%2BhsR%3DCvOsebd74ZouWX6VhHVYh%2BkA2XQ%40mail.gmail.com</a>.<br />