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<div>I received a reply from Dr. M Jamal and what he adviced (amended below) solved my issue.</div><div><br></div><div><span>"If you have all of your scf <g class="gr_ gr_84 gr-alert gr_gramm gr_inline_cards gr_run_anim Grammar multiReplace" id="84" data-gr-id="84">file</g>, run 2Doptimize.job file again. It restores all of your Vconst files."</span><br></div><div><br></div><div>regards</div><div>Chin S.<br></div><div><br></div>
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On Saturday, 28 July, 2018, 2:45:16 AM IST, Peter Blaha <pblaha@theochem.tuwien.ac.at> wrote:
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<div><div dir="ltr">I don't know. ana2D was contributed by Morteza Jamal.<br clear="none">Maybe some output from gnuplot or numbers calculated by bc.<br clear="none"><br clear="none">In any, that many digits are meaningless.<br clear="none"><div class="yqt9070838955" id="yqtfd68717"><br clear="none">Am 27.07.2018 um 11:16 schrieb chin Sabsu:<br clear="none">> Dear Peter Sir<br clear="none">> <br clear="none">> I have done 2D optimization for a case and I need to make Vconst* files <br clear="none">> (manually, I deleted some that ana2D code gave).<br clear="none">> For example, I need to prepare like this:<br clear="none">> <br clear="none">> 31.539224 13.55935 5021.80108 -197506.77004096 2.32601297259824401612 <br clear="none">> V-15.0_COA_-6.0<br clear="none">> <br clear="none">> Here I see the decimal value for COA is 21 (printed by the program).<br clear="none">> <br clear="none">> I tried to get such a decimal precision (up to 21 decimal digit) but I <br clear="none">> could not succeed.<br clear="none">> <br clear="none">> Could you please help me how to get such precise decimal digits for COA <br clear="none">> ratio?<br clear="none">> <br clear="none">> <br clear="none">> Kind regards<br clear="none">> <br clear="none">> Chin S.</div><br clear="none">> <br clear="none">> <br clear="none">> <br clear="none">> <br clear="none">> <br clear="none">> _______________________________________________<br clear="none">> Wien mailing list<br clear="none">> <a shape="rect" ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br clear="none">> <a shape="rect" href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br clear="none">> SEARCH the MAILING-LIST at: <a shape="rect" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br clear="none">> <br clear="none"><br clear="none">-- <br clear="none">--------------------------------------------------------------------------<br clear="none">Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br clear="none">Phone: +43-1-58801-165300 FAX: +43-1-58801-165982<br clear="none">Email: <a shape="rect" ymailto="mailto:blaha@theochem.tuwien.ac.at" href="mailto:blaha@theochem.tuwien.ac.at">blaha@theochem.tuwien.ac.at</a> WIEN2k: <a shape="rect" href="http://www.wien2k.at" target="_blank">http://www.wien2k.at</a><br clear="none">WWW: <br clear="none"><a shape="rect" href="http://www.imc.tuwien.ac.at/tc_blaha------------------------------------------------------------------------- " target="_blank">http://www.imc.tuwien.ac.at/tc_blaha------------------------------------------------------------------------- </a><br clear="none"><br clear="none">_______________________________________________<br clear="none">Wien mailing list<br clear="none"><a shape="rect" ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br clear="none"><a shape="rect" href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br clear="none">SEARCH the MAILING-LIST at: <a shape="rect" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><div class="yqt9070838955" id="yqtfd47881"><br clear="none"></div></div></div>
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