<html><head><base href="x-msg://11/"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Hi,<div><br></div><div>it looks like there is a problem with the default basis set in this case to use for the the atomic density guess. I believe this</div><div>will run in the meantime if you add "start,h0" to the end of your hf options.</div><div><br></div><div>regards,</div><div><br></div><div>Kirk</div><div><br></div><div><br><div><div>On May 16, 2011, at 7:32 PM, Toshimasa ISHIDA wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><span class="Apple-style-span" style="border-collapse: separate; font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; font-size: medium; "><div lang="JA" link="blue" vlink="purple"><div class="WordSection1" style="page: WordSection1; "><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">Dear all,<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "><o:p> </o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">I used Hay-Wadt ECP (ECP2) for Fe in molpro2009. (Patch level was 20).<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "><o:p> </o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">The input was following (This is a test calculation):<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">------------------------------------<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">memory,100,m<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "><o:p> </o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">geomtyp=xyz<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">geometry={<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "> 1<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "><o:p> </o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">Fe 0.000000 0.000000 0.00000<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">}<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "><o:p> </o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">basis={<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">spd, Fe, MBS-ECP2;c;<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">ecp, Fe, ECP2;<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">}<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "><o:p> </o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">{hf;<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">wf,sym=1,charge=0,spin=4}<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">---<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">------------------------------<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "><o:p> </o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">The last several lines in the output says ‘Basis not found’<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "><o:p> </o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">-----------------------<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">1PROGRAM * RHF-SCF (OPEN SHELL) Authors: W. Meyer, H.-J. Werner<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "><o:p> </o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "><o:p> </o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">NUMBER OF ELECTRONS: 10+ 6- SPACE SYMMETRY=1 SPIN SYMMETRY=Quintet<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">CONVERGENCE THRESHOLDS: 1.00E-05 (Density) 1.00E-07 (Energy)<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">MAX. NUMBER OF ITERATIONS: 60<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">INTERPOLATION TYPE: DIIS<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">INTERPOLATION STEPS: 2 (START) 1 (STEP)<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">LEVEL SHIFTS: -0.30 (CLOSED) 0.00 (OPEN)<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "><o:p> </o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "><o:p> </o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "><o:p> </o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "><o:p> </o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">Basis ECP2 S for FE not found<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">? Error<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">? Basis not found<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">? The problem occurs in get_libbasis<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">------------------------------------<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "><o:p> </o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">Then, I used Molpro 2006 for the same input file.<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "><o:p> </o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">The output was normal. The last several lines are<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">------------------------------------<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "> HF-SCF<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "> -122.53491564<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">*****************************************************************************************<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">*****************************************<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">Variable memory released<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">tmp = /home/ishida-t/pdir//usr/local/molpro2006_mpi/lib/molpro-Linux-x86_64-i8-2006.1/molp<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">rop_2006_1_i8_x86_64_tcgmsg.exe.p<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">Creating: host=c2q01, user=ishida-t,<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "> file=/usr/local/molpro2006_mpi/lib/molpro-Linux-x86_64-i8-2006.1/molprop_2006_1<o:p></o:p></span></div><div style="border-top-style: none; border-right-style: none; border-left-style: none; border-width: initial; border-color: initial; border-bottom-style: solid; border-bottom-color: windowtext; border-bottom-width: 1pt; padding-top: 0mm; padding-right: 0mm; padding-bottom: 1pt; padding-left: 0mm; "><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">_i8_x86_64_tcgmsg.exe, port=42555<o:p></o:p></span></div></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "><o:p> </o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">It seems the ECP2 is not handled well in Molpro2009.1 (Patch level20).<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "><o:p> </o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">Could someone please tell me how to evade this problem?<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "><o:p> </o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">As for Molpro2010.1,<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">I tried to use 2010.1(molpro-serial-2010.1-13.Linux_x86_64.sh.gz), but I downloaded the binary file successfully,<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">but could not expand it successfully using ALZip nor IZArc although I was able to expand Molpro2009 file<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">(molpro-mpp-2009.1-20.Linux_x86_64.sh.gz) with both of them.<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "><o:p> </o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">Thank you very much for your helpful suggestions.<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "><o:p> </o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">Best regards,<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "><o:p> </o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">Toshimasa Ishida<o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">---------------</span><span lang="EN-US"><o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">Toshimasa ISHIDA </span><span lang="EN-US"><o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; "><a href="mailto:ishida@fukui.kyoto-u.ac.jp" style="color: blue; text-decoration: underline; ">ishida@fukui.kyoto-u.ac.jp</a><o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">Associate Professor in General Research Division</span><span lang="EN-US" style="font-size: 12pt; "><o:p></o:p></span></div><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">Fukui Institute for Fundamental Chemistry, Kyoto Univ.<br>34-4, Takano-nishihirakicho, Sakyo-ku, Kyoto 606-8103, Japan</span><span lang="EN-US"><o:p></o:p></span></div><p class="MsoNormal" style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 12pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US" style="font-size: 10pt; ">Phone, Fax: +81-75-711-7838</span><span lang="EN-US"><o:p></o:p></span></p><div style="margin-top: 0mm; margin-right: 0mm; margin-bottom: 0.0001pt; margin-left: 0mm; text-align: justify; font-size: 10.5pt; font-family: Arial, sans-serif; "><span lang="EN-US"><o:p> </o:p></span></div></div>_______________________________________________<br>Molpro-user mailing list<br><a href="mailto:Molpro-user@molpro.net" style="color: blue; text-decoration: underline; ">Molpro-user@molpro.net</a><br><a href="http://www.molpro.net/mailman/listinfo/molpro-user" style="color: blue; text-decoration: underline; ">http://www.molpro.net/mailman/listinfo/molpro-user</a><br></div></span></blockquote></div><br></div></body></html>