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<DIV><FONT face=宋体 size=2>Dear all:</FONT></DIV>
<DIV><FONT face=宋体 size=2></FONT> </DIV>
<DIV><FONT face=宋体 size=2>I'd like to calculate the transmission of some special
orbital. In the INPUT_PWCOND.html I was told there are two parameters orbj_in
and orbj_fin as follows:</FONT></DIV>
<DIV><FONT face=宋体 size=2></FONT> </DIV>
<DIV><FONT face=宋体 size=2>================</FONT></DIV>
<DIV><SPAN class=Apple-style-span
style="WORD-SPACING: 0px; FONT: 13px verdana; TEXT-TRANSFORM: none; COLOR: rgb(0,0,0); TEXT-INDENT: 0px; WHITE-SPACE: normal; LETTER-SPACING: normal; BORDER-COLLAPSE: separate; TEXT-ALIGN: left; orphans: 2; widows: 2; -webkit-border-horizontal-spacing: 1px; -webkit-border-vertical-spacing: 1px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0">orbj_in
REAL<SPAN class=Apple-converted-space> </SPAN><BR>the initial orbital for
projecting the transmission<BR><BR><BR>orbj_fin REAL<SPAN
class=Apple-converted-space> </SPAN><BR>the final orbital for projecting
the transmission</SPAN></DIV>
<DIV><SPAN class=Apple-style-span
style="WORD-SPACING: 0px; FONT: 13px verdana; TEXT-TRANSFORM: none; COLOR: rgb(0,0,0); TEXT-INDENT: 0px; WHITE-SPACE: normal; LETTER-SPACING: normal; BORDER-COLLAPSE: separate; TEXT-ALIGN: left; orphans: 2; widows: 2; -webkit-border-horizontal-spacing: 1px; -webkit-border-vertical-spacing: 1px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0">============</SPAN></DIV>
<DIV><SPAN class=Apple-style-span
style="WORD-SPACING: 0px; FONT: 13px verdana; TEXT-TRANSFORM: none; COLOR: rgb(0,0,0); TEXT-INDENT: 0px; WHITE-SPACE: normal; LETTER-SPACING: normal; BORDER-COLLAPSE: separate; TEXT-ALIGN: left; orphans: 2; widows: 2; -webkit-border-horizontal-spacing: 1px; -webkit-border-vertical-spacing: 1px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0"></SPAN> </DIV>
<DIV><SPAN class=Apple-style-span
style="WORD-SPACING: 0px; FONT: 13px verdana; TEXT-TRANSFORM: none; COLOR: rgb(0,0,0); TEXT-INDENT: 0px; WHITE-SPACE: normal; LETTER-SPACING: normal; BORDER-COLLAPSE: separate; TEXT-ALIGN: left; orphans: 2; widows: 2; -webkit-border-horizontal-spacing: 1px; -webkit-border-vertical-spacing: 1px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0">But
what value can I set for these two parameters? What do they mean? Are they
related to the transmission of some special orbital?</SPAN></DIV>
<DIV><SPAN class=Apple-style-span
style="WORD-SPACING: 0px; FONT: 13px verdana; TEXT-TRANSFORM: none; COLOR: rgb(0,0,0); TEXT-INDENT: 0px; WHITE-SPACE: normal; LETTER-SPACING: normal; BORDER-COLLAPSE: separate; TEXT-ALIGN: left; orphans: 2; widows: 2; -webkit-border-horizontal-spacing: 1px; -webkit-border-vertical-spacing: 1px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0"></SPAN> </DIV>
<DIV><SPAN class=Apple-style-span
style="WORD-SPACING: 0px; FONT: 13px verdana; TEXT-TRANSFORM: none; COLOR: rgb(0,0,0); TEXT-INDENT: 0px; WHITE-SPACE: normal; LETTER-SPACING: normal; BORDER-COLLAPSE: separate; TEXT-ALIGN: left; orphans: 2; widows: 2; -webkit-border-horizontal-spacing: 1px; -webkit-border-vertical-spacing: 1px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0">Thank
you in advance</SPAN></DIV>
<DIV><SPAN class=Apple-style-span
style="WORD-SPACING: 0px; FONT: 13px verdana; TEXT-TRANSFORM: none; COLOR: rgb(0,0,0); TEXT-INDENT: 0px; WHITE-SPACE: normal; LETTER-SPACING: normal; BORDER-COLLAPSE: separate; TEXT-ALIGN: left; orphans: 2; widows: 2; -webkit-border-horizontal-spacing: 1px; -webkit-border-vertical-spacing: 1px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0"></SPAN> </DIV>
<DIV><SPAN class=Apple-style-span
style="WORD-SPACING: 0px; FONT: 13px verdana; TEXT-TRANSFORM: none; COLOR: rgb(0,0,0); TEXT-INDENT: 0px; WHITE-SPACE: normal; LETTER-SPACING: normal; BORDER-COLLAPSE: separate; TEXT-ALIGN: left; orphans: 2; widows: 2; -webkit-border-horizontal-spacing: 1px; -webkit-border-vertical-spacing: 1px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0">Cheers</SPAN></DIV>
<DIV><SPAN class=Apple-style-span
style="WORD-SPACING: 0px; FONT: 13px verdana; TEXT-TRANSFORM: none; COLOR: rgb(0,0,0); TEXT-INDENT: 0px; WHITE-SPACE: normal; LETTER-SPACING: normal; BORDER-COLLAPSE: separate; TEXT-ALIGN: left; orphans: 2; widows: 2; -webkit-border-horizontal-spacing: 1px; -webkit-border-vertical-spacing: 1px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0">Wang</SPAN></DIV>
<DIV><SPAN class=Apple-style-span
style="WORD-SPACING: 0px; FONT: 13px verdana; TEXT-TRANSFORM: none; COLOR: rgb(0,0,0); TEXT-INDENT: 0px; WHITE-SPACE: normal; LETTER-SPACING: normal; BORDER-COLLAPSE: separate; TEXT-ALIGN: left; orphans: 2; widows: 2; -webkit-border-horizontal-spacing: 1px; -webkit-border-vertical-spacing: 1px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0"></SPAN> </DIV>
<DIV><FONT face=宋体
size=2>------------------------------------<BR>王秦镜，复旦大学物理系研究生<BR>Wang Qinjing,
Physics Department, <BR>Fudan University</FONT></DIV></BODY></HTML>