<div dir="ltr"><div class="hlFld-Title articleMeta padded-content" style=""><header class="publicationContentTitle" style=""><h1 style="color: rgb(0, 0, 0); font-family: Montserrat, sans-serif; margin-top: 5px; margin-bottom: 2px; line-height: 52px;">I will use F-D smearing for the metallic system.</h1><div style="">For the PDOS, the valence electron expand according to the basis set. DZVP.</div><div style=""> </div><div style="">As metioned in the reference "In this work, <named-content xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:ali="http://www.niso.org/schemas/ali/1.0/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:oasis="http://www.niso.org/standards/z39-96/ns/oasis-exchange/table" content-type="sem:AIPTh1.2" rid="kwd1.1" style="color: rgb(0, 0, 0); font-family: Lora, serif;">basis sets</named-content> for the elements H, C, N, O, F, Si, P, S, and Cl are presented. The library contains <named-content xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:ali="http://www.niso.org/schemas/ali/1.0/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:oasis="http://www.niso.org/standards/z39-96/ns/oasis-exchange/table" content-type="sem:AIPTh1.2" rid="kwd1.1" style="color: rgb(0, 0, 0); font-family: Lora, serif;">basis sets</named-content> denoted m-SZV </div><mrow><mo>(</mo><mn>1</mn><mi>s</mi><mn>1</mn><mi>p</mi><mo>∕</mo><mn>1</mn><mi>s</mi><mo>)</mo></mrow></math>" role="presentation" style="display: inline; line-height: normal; word-spacing: normal; overflow-wrap: normal; white-space: nowrap; float: none; direction: ltr; max-width: none; max-height: none; min-width: 0px; min-height: 0px; position: relative;"><nobr aria-hidden="true" style="color: rgb(0, 0, 0); transition: none 0s ease 0s; border: 0px; padding: 0px; margin: 0px; max-width: none; max-height: none; min-width: 0px; min-height: 0px; vertical-align: 0px; line-height: normal;"><span class="mo" id="MathJax-Span-25" style="background-position: 0px -4992px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">(<span class="mn" id="MathJax-Span-26" style="background-position: 0px -4960px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">1s<span class="mn" id="MathJax-Span-28" style="background-position: 0px -4960px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">1p<span class="mo" id="MathJax-Span-30" style="background-position: 0px -4992px; transition: none 0s ease 0s; display: inline; position: static; padding-left: 0.218em; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">∕<span class="mn" id="MathJax-Span-31" style="background-position: 0px -4960px; transition: none 0s ease 0s; display: inline; position: static; padding-left: 0.218em; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">1s<span class="mo" id="MathJax-Span-33" style="background-position: 0px -4992px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">)<span class="MJX_Assistive_MathML" role="presentation" style="top: 0px; left: 0px; clip: rect(1px, 1px, 1px, 1px); user-select: none; position: static; display: inline; transition: none 0s ease 0s; vertical-align: 0px; line-height: normal; height: 1px !important; width: 1px !important; overflow: hidden !important;"><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline" overflow="scroll" altimg="eq-00004.gif"><mrow></mrow></math><mo>(</mo><mn>1</mn><mi>s</mi><mn>1</mn><mi>p</mi><mo>∕</mo><mn>1</mn><mi>s</mi><mo>)</mo>, m-DZVP <mrow><mo>(</mo><mn>2</mn><mi>s</mi><mn>2</mn><mi>p</mi><mn>1</mn><mi>d</mi><mo>∕</mo><mn>2</mn><mi>s</mi><mn>1</mn><mi>p</mi><mo>)</mo></mrow></math>" role="presentation" style="display: inline; line-height: normal; word-spacing: normal; overflow-wrap: normal; white-space: nowrap; float: none; direction: ltr; max-width: none; max-height: none; min-width: 0px; min-height: 0px; position: relative;"><nobr aria-hidden="true" style="transition: none 0s ease 0s; border: 0px; padding: 0px; margin: 0px; max-width: none; max-height: none; min-width: 0px; min-height: 0px; vertical-align: 0px; line-height: normal;"><span class="mo" id="MathJax-Span-37" style="background-position: 0px -4992px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">(<span class="mn" id="MathJax-Span-38" style="background-position: 0px -4960px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">2s<span class="mn" id="MathJax-Span-40" style="background-position: 0px -4960px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">2p<span class="mn" id="MathJax-Span-42" style="background-position: 0px -4960px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">1d<span class="mo" id="MathJax-Span-44" style="background-position: 0px -4992px; transition: none 0s ease 0s; display: inline; position: static; padding-left: 0.218em; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">∕<span class="mn" id="MathJax-Span-45" style="background-position: 0px -4960px; transition: none 0s ease 0s; display: inline; position: static; padding-left: 0.218em; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">2s<span class="mn" id="MathJax-Span-47" style="background-position: 0px -4960px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">1p<span class="mo" id="MathJax-Span-49" style="background-position: 0px -4992px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">)<span style="color: rgb(0, 0, 0); transition: none 0s ease 0s; display: inline-block; position: static; border-left-style: solid; vertical-align: -0.348em; line-height: normal; overflow: hidden; width: 0px; height: 1.252em;"><span class="MJX_Assistive_MathML" role="presentation" style="color: rgb(0, 0, 0); top: 0px; left: 0px; clip: rect(1px, 1px, 1px, 1px); user-select: none; position: static; display: inline; transition: none 0s ease 0s; vertical-align: 0px; line-height: normal; height: 1px !important; width: 1px !important; overflow: hidden !important;"><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline" overflow="scroll" altimg="eq-00005.gif"><mrow><mo>(</mo><mn>2</mn><mi>s</mi><mn>2</mn><mi>p</mi><mn>1</mn><mi>d</mi><mo>∕</mo><mn>2</mn><mi>s</mi><mn>1</mn><mi>p</mi><mo>)</mo></mrow></math>, m-TZVP <mrow><mo>(</mo><mn>3</mn><mi>s</mi><mn>3</mn><mi>p</mi><mn>1</mn><mi>d</mi><mo>∕</mo><mn>3</mn><mi>s</mi><mn>1</mn><mi>p</mi><mo>)</mo></mrow></math>" role="presentation" style="display: inline; line-height: normal; word-spacing: normal; overflow-wrap: normal; white-space: nowrap; float: none; direction: ltr; max-width: none; max-height: none; min-width: 0px; min-height: 0px; position: relative;"><nobr aria-hidden="true" style="transition: none 0s ease 0s; border: 0px; padding: 0px; margin: 0px; max-width: none; max-height: none; min-width: 0px; min-height: 0px; vertical-align: 0px; line-height: normal;"><span class="mo" id="MathJax-Span-53" style="background-position: 0px -4992px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">(<span class="mn" id="MathJax-Span-54" style="background-position: 0px -4960px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">3s<span class="mn" id="MathJax-Span-56" style="background-position: 0px -4960px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">3p<span class="mn" id="MathJax-Span-58" style="background-position: 0px -4960px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">1d<span class="mo" id="MathJax-Span-60" style="background-position: 0px -4992px; transition: none 0s ease 0s; display: inline; position: static; padding-left: 0.218em; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">∕<span class="mn" id="MathJax-Span-61" style="background-position: 0px -4960px; transition: none 0s ease 0s; display: inline; position: static; padding-left: 0.218em; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">3s<span class="mn" id="MathJax-Span-63" style="background-position: 0px -4960px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">1p<span class="mo" id="MathJax-Span-65" style="background-position: 0px -4992px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">)<span class="MJX_Assistive_MathML" role="presentation" style="top: 0px; left: 0px; clip: rect(1px, 1px, 1px, 1px); user-select: none; position: static; display: inline; transition: none 0s ease 0s; vertical-align: 0px; line-height: normal; height: 1px !important; width: 1px !important; overflow: hidden !important;"><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline" overflow="scroll" altimg="eq-00006.gif"><mrow><mo>(</mo><mn>3</mn><mi>s</mi><mn>3</mn><mi>p</mi><mn>1</mn><mi>d</mi><mo>∕</mo><mn>3</mn><mi>s</mi><mn>1</mn><mi>p</mi><mo>)</mo></mrow></math>, m-TZV2P <mrow><mo>(</mo><mn>3</mn><mi>s</mi><mn>3</mn><mi>p</mi><mn>2</mn><mi>d</mi><mo>∕</mo><mi>s</mi><mn>2</mn><mi>p</mi><mo>)</mo></mrow></math>" role="presentation" style="display: inline; line-height: normal; word-spacing: normal; overflow-wrap: normal; white-space: nowrap; float: none; direction: ltr; max-width: none; max-height: none; min-width: 0px; min-height: 0px; position: relative;"><nobr aria-hidden="true" style="transition: none 0s ease 0s; border: 0px; padding: 0px; margin: 0px; max-width: none; max-height: none; min-width: 0px; min-height: 0px; vertical-align: 0px; line-height: normal;"><span class="mo" id="MathJax-Span-69" style="background-position: 0px -4992px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">(<span class="mn" id="MathJax-Span-70" style="background-position: 0px -4960px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">3s<span class="mn" id="MathJax-Span-72" style="background-position: 0px -4960px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">3p<span class="mn" id="MathJax-Span-74" style="background-position: 0px -4960px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">2d<span class="mo" id="MathJax-Span-76" style="background-position: 0px -4992px; transition: none 0s ease 0s; display: inline; position: static; padding-left: 0.218em; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">∕<span class="mi" id="MathJax-Span-77" style="transition: none 0s ease 0s; display: inline; position: static; padding-left: 0.218em; vertical-align: 0px; line-height: normal; font-family: MathJax_Math; font-style: italic;">s<span class="mn" id="MathJax-Span-78" style="background-position: 0px -4960px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">2p<span class="mo" id="MathJax-Span-80" style="background-position: 0px -4992px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">)<span class="MJX_Assistive_MathML" role="presentation" style="top: 0px; left: 0px; clip: rect(1px, 1px, 1px, 1px); user-select: none; position: static; display: inline; transition: none 0s ease 0s; vertical-align: 0px; line-height: normal; height: 1px !important; width: 1px !important; overflow: hidden !important;"><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline" overflow="scroll" altimg="eq-00007.gif"><mrow><mo>(</mo><mn>3</mn><mi>s</mi><mn>3</mn><mi>p</mi><mn>2</mn><mi>d</mi><mo>∕</mo><mi>s</mi><mn>2</mn><mi>p</mi><mo>)</mo></mrow></math>, and m-TZV2PX <mrow><mo>(</mo><mn>3</mn><mi>s</mi><mn>3</mn><mi>p</mi><mn>2</mn><mi>d</mi><mn>1</mn><mi>f</mi><mo>∕</mo><mn>3</mn><mi>s</mi><mn>2</mn><mi>p</mi><mn>1</mn><mi>d</mi><mo>)</mo></mrow></math>" role="presentation" style="display: inline; line-height: normal; word-spacing: normal; overflow-wrap: normal; white-space: nowrap; float: none; direction: ltr; max-width: none; max-height: none; min-width: 0px; min-height: 0px; position: relative;"><nobr aria-hidden="true" style="transition: none 0s ease 0s; border: 0px; padding: 0px; margin: 0px; max-width: none; max-height: none; min-width: 0px; min-height: 0px; vertical-align: 0px; line-height: normal;"><span class="mo" id="MathJax-Span-84" style="background-position: 0px -4992px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">(<span class="mn" id="MathJax-Span-85" style="background-position: 0px -4960px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">3s<span class="mn" id="MathJax-Span-87" style="background-position: 0px -4960px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">3p<span class="mn" id="MathJax-Span-89" style="background-position: 0px -4960px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">2d<span class="mn" id="MathJax-Span-91" style="background-position: 0px -4960px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">1f<span class="mo" id="MathJax-Span-93" style="background-position: 0px -4992px; transition: none 0s ease 0s; display: inline; position: static; padding-left: 0.218em; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">∕<span class="mn" id="MathJax-Span-94" style="background-position: 0px -4960px; transition: none 0s ease 0s; display: inline; position: static; padding-left: 0.218em; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">3s<span class="mn" id="MathJax-Span-96" style="background-position: 0px -4960px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">2p<span class="mn" id="MathJax-Span-98" style="background-position: 0px -4960px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">1d<span class="mo" id="MathJax-Span-100" style="background-position: 0px -4992px; transition: none 0s ease 0s; display: inline; position: static; vertical-align: 0px; line-height: normal; font-family: MathJax_Main;">)<div style=""><mrow><mo>(</mo><mn>3</mn><mi>s</mi><mn>3</mn><mi>p</mi><mn>2</mn><mi>d</mi><mn>1</mn><mi>f</mi><mo>∕</mo><mn>3</mn><mi>s</mi><mn>2</mn><mi>p</mi><mn>1</mn><mi>d</mi><mo>)</mo></mrow></math>" role="presentation" style="display: inline; line-height: normal; word-spacing: normal; overflow-wrap: normal; white-space: nowrap; float: none; direction: ltr; max-width: none; max-height: none; min-width: 0px; min-height: 0px; position: relative;"><span class="MJX_Assistive_MathML" role="presentation" style="top: 0px; left: 0px; clip: rect(1px, 1px, 1px, 1px); user-select: none; position: static; display: inline; transition: none 0s ease 0s; vertical-align: 0px; line-height: normal; height: 1px !important; width: 1px !important; overflow: hidden !important;"><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline" overflow="scroll" altimg="eq-00008.gif"><mrow><mo>(</mo><mn>3</mn><mi>s</mi><mn>3</mn><mi>p</mi><mn>2</mn><mi>d</mi><mn>1</mn><mi>f</mi><mo>∕</mo><mn>3</mn><mi>s</mi><mn>2</mn><mi>p</mi><mn>1</mn><mi>d</mi><mo>)</mo></mrow></math> for each of the above elements and is available as supplementary material or can be downloaded from the CP2K website."</div><h1 style="color: rgb(0, 0, 0); font-family: Montserrat, sans-serif; margin-top: 5px; margin-bottom: 2px; line-height: 52px;">Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases </h1></header></div><div class="articleMetaDrop publicationContentDropZone" data-pb-dropzone="articleMetaDropZone" style="color: rgb(0, 0, 0); font-family: Montserrat, sans-serif;"></div><div class="publicationContentCitation" style="">J. Chem. Phys. 127, 114105 (2007); <a href="https://doi.org/10.1063/1.2770708" style="background-color: transparent;">https://doi.org/10.1063/1.2770708</a></div><div class="publicationContentCitation" style="color: rgb(0, 0, 0); font-family: Montserrat, sans-serif; font-size: 16px;"> </div><div class="publicationContentCitation" style="color: rgb(0, 0, 0); font-family: Montserrat, sans-serif; font-size: 16px;"> </div> On Monday, 5 August 2019 05:15:34 UTC+2, Fan Tian wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr"><div>Dear CP2K Users/Experts,</div><div> </div><div>I have got the pdos file from cp2k run for a metallic orangic molecular (a metallic nanocluster). There are C, H, P, S, Ag and Cu atoms in the molecular, and therefore produced s, p, d and f states for the atoms. The pdos for Ag and Cu seems reasonable. however, the presence of states for C, S, P and H are very confusing for me. For C, S and P atoms there are s, p and d states present. it is reasonable for those atoms generated d states or there are something wrong in my input file?</div><div> </div><div>The following is my input file</div><div>############################################################################################################################################################### </div><div> &GLOBAL PROJECT Ag12Cu2_sp RUN_TYPE energy PRINT_LEVEL medium &END GLOBAL &FORCE_EVAL METHOD QS &SUBSYS &CELL A 35 0 0 B 0 35 0 C 0 0 35 PERIODIC NONE &END CELL &TOPOLOGY COORD_FILE_NAME Ag12Cu2_opted.xyz COORDINATE xyz &CENTER_COORDINATES &END CENTER_COORDINATES &END TOPOLOGY &KIND Ag BASIS_SET DZVP-MOLOPT-SR-GTH-q11 POTENTIAL GTH-PBE-q11 &END KIND &KIND Cu BASIS_SET DZVP-MOLOPT-SR-GTH-q11 POTENTIAL GTH-PBE-q11 &END KIND &KIND N BASIS_SET DZVP-MOLOPT-GTH-q5 POTENTIAL GTH-PBE-q5 &END KIND &KIND O BASIS_SET DZVP-MOLOPT-GTH-q6 POTENTIAL GTH-PBE-q6 &END KIND &KIND S BASIS_SET DZVP-MOLOPT-GTH-q6 POTENTIAL GTH-PBE-q6 &END KIND &KIND P BASIS_SET DZVP-MOLOPT-SR-GTH-q5 POTENTIAL GTH-PBE-q5 &END KIND &KIND C BASIS_SET DZVP-MOLOPT-SR-GTH-q4 POTENTIAL GTH-PBE-q4 &END KIND &KIND H BASIS_SET DZVP-MOLOPT-SR-GTH-q1 POTENTIAL GTH-PBE-q1 &END KIND &END SUBSYS &DFT BASIS_SET_FILE_NAME ./GTH_BASIS_SETS BASIS_SET_FILE_NAME ./BASIS_MOLOPT POTENTIAL_FILE_NAME ./POTENTIAL CHARGE 0 &POISSON PERIODIC none POISSON_SOLVER wavelet &END POISSON &QS METHOD GPW &END QS &MGRID CUTOFF 250 NGRIDS 4 REL_CUTOFF 30 &END MGRID &SCF SCF_GUESS ATOMIC EPS_SCF 1.0E-05 MAX_SCF 200 &OT PRECONDITIONER FULL_SINGLE_INVERSE MINIMIZER DIIS &END OT &OUTER_SCF ! repeat the inner SCF cycle 10 times MAX_SCF 10 EPS_SCF 1.0E-5 ! must match the above &END &MIXING T ALPHA 0.5 METHOD PULAY_MIXING NPULAY 5 &END MIXING &PRINT &RESTART &END RESTART &END PRINT &END SCF &XC &XC_FUNCTIONAL PBE &END XC_FUNCTIONAL &XC_GRID XC_DERIV SPLINE2_SMOOTH # this is needed for the 2nd derivatives of the XC functional &END XC_GRID &END XC &PRINT &E_DENSITY_CUBE STRIDE 1 1 1 &END &TOT_DENSITY_CUBE STRIDE 1 &END &MO_CUBES NHOMO 10 NLUMO 10 &END &PDOS NLUMO -1 COMPONENTS &END PDOS &END PRINT &END DFT &END FORCE_EVAL #######################################################################################################################################################</div><div> </div><div>this is my generated C pdos file </div><div> </div><div>#######################################################################################################################################################</div><div># Projected DOS for atomic kind C at iteration step i = 0, E(Fermi) = -0.130250 a.u. # MO Eigenvalue [a.u.] Occupation s py pz px d-2 d-1 d0 d+1 d+2 1 -0.788556 2.000000 0.60114238 0.04517697 0.02757000 0.05953101 0.00147479 0.00535724 0.02837344 0.01460750 0.01379350 2 -0.788551 2.000000 0.60119983 0.04571463 0.02713235 0.05967614 0.00145228 0.00539216 0.02854598 0.01474029 0.01343909 3 -0.787669 2.000000 0.60164941 0.06335227 0.04568403 0.02397954 0.00205072 0.00087165 0.02526124 0.00395660 0.03159312 4 -0.787639 2.000000 0.60169428 0.06332581 0.04548456 0.02416818 0.00204703 0.00087299 0.02537493 0.00396994 0.03147265 5 -0.785662 2.000000 0.60090428 0.03848360 0.04548544 0.04381844 0.00265392 0.02150218 0.00537264 0.01413766 0.02113812 6 -0.785620 2.000000 0.60087843 0.03896225 0.04521549 0.04330063 0.00267091 0.02100816 0.00553442 0.01457253 0.02105923 7 -0.781051 2.000000 0.59601551 0.07682683 0.03676764 0.05401189 0.00102739 0.00060880 0.03832022 0.00485420 0.01450966 8 -0.781040 2.000000 0.59575007 0.07993935 0.03509379 0.05264171 0.00099089 0.00053817 0.03970504 0.00484215 0.01322257 ... </div><div>######################################################################################################################################################## </div><div> </div><div>Best regard!</div><div> </div><div> </div><div>Fan Tian </div><div> </div><div>Wuhan Institute of Technology </div></div></blockquote></div>