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<DIV><FONT size=2>Dear all:</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>I am a new PWSCF user and I was confused by two
things.</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>One thing is different TRC (Transimission coefficient) at
the same energy point will be obtained for the same system. After get the wave
functions by the scf calculation, I tried to get the TRC. First I just calculate
the TRC at the fermi energy, i.e., the inputfile cond.in for the pwcond.x fiis
as follows:</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>=========</FONT></DIV>
<DIV><FONT size=2> energy0=0.0d0,<BR>
denergy=0.0d0,<BR>/<BR> 1<BR> 0.0
0.0 1.0<BR></FONT><FONT size=2>1<BR> 0.0<BR>=========</FONT></DIV>
<DIV><FONT size=2>in this way the TRC at fermi energy is about
0.106</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>But if I calculate the TRCs for different energies, i.e., the
input file for the pwcond.x is as:</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>========</FONT></DIV>
<DIV><FONT size=2> energy0=2.0d0,<BR>
denergy=-0.02d0,<BR>/<BR> 1<BR> 0.0 0.0
1.0<BR></FONT><FONT size=2>201<BR>========</FONT></DIV>
<DIV><FONT size=2>in this way a series of TRC is obtained and the TRC at fermi
energy is 5*10^-3. There must be something wrong. Is it a bug? or related to the
complie problem?</DIV></FONT>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>Thank you in advance.</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>Yours Wang</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2> </DIV></FONT>
<DIV><FONT 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>