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color=#00ff00>Bio</FONT><FONT
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<P align=center><B><FONT face=Arial color=#000000 size=5>Grupo de Pesquisa em
Biofísica</FONT> <FONT face=Arial color=#000000 size=4><BR></FONT><FONT
face=Arial color=#000000 size=3>Instituto de Física</FONT> <FONT face=Arial
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<DIV lang=en
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align=justify>Greetings! </DIV>
<DIV lang=en
style="PADDING-RIGHT: 10px; PADDING-LEFT: 10px; PADDING-BOTTOM: 10px; PADDING-TOP: 10px"
align=justify>I am with another problem when I am calculating way PWSCF the
nucleotídeos Citosina-Guanina. The following error in output
appears: </DIV>
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<DIV align=justify><FONT color=#800000>Program PWSCF 1.1.2 starts
...</FONT></DIV>
<DIV><FONT color=#800000>Today is 9Jun2003 at 22:57:35 </FONT></DIV>
<DIV><FONT color=#800000>Ultrasoft (Vanderbilt) Pseudopotentials</FONT></DIV>
<DIV><FONT color=#800000>Complex Hamiltonian</FONT></DIV>
<DIV><FONT color=#800000>current dimensions of program pwscf are:</FONT></DIV>
<DIV><FONT color=#800000>ntypx= 6 npsx = 6 lmax = 3 npk =40000</FONT></DIV>
<DIV><FONT color=#800000>nbrx = 6 lqx = 5 nqfm = 8</FONT></DIV>
<DIV><FONT color=#800000>Lattice vectors read from STDIN</FONT></DIV>
<DIV><FONT color=#800000></FONT> </DIV>
<DIV><FONT
color=#ffff00>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</FONT></DIV>
<DIV><FONT color=#ffff00>from readin : error # 182</FONT></DIV>
<DIV><FONT color=#ffff00>in reading input file</FONT></DIV>
<DIV><FONT
color=#ffff00>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</FONT></DIV>
<DIV><FONT color=#ffff00>stopping ...</FONT></DIV></FONT>
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align=justify> </DIV>
<DIV lang=en
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align=justify> It could help me. Click in following links to see the
archives generated: </DIV>
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align=justify><IMG alt="[ ]"
src="http://www.biophysics.hpg.ig.com.br/icons/unknown.gif"> <A
href="http://www.biophysics.hpg.ig.com.br/download/simulacoes/PWSCF/testes/c-g.out">c-g.out</A>
09-Jun-2003 23:05 1k <BR><IMG alt="[ ]"
src="http://www.biophysics.hpg.ig.com.br/icons/unknown.gif"> <A
href="http://www.biophysics.hpg.ig.com.br/download/simulacoes/PWSCF/testes/c-g.in">c-g.in</A>
09-Jun-2003 23:05 2k </DIV>
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align=justify><IMG alt="[ ]"
src="http://www.biophysics.hpg.ig.com.br/icons/unknown.gif"> <A
href="http://www.biophysics.hpg.ig.com.br/download/simulacoes/PWSCF/testes/run_c-g">run_c-g</A>
09-Jun-2003 23:04 4k <BR></DIV>
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style="PADDING-RIGHT: 10px; PADDING-LEFT: 10px; PADDING-BOTTOM: 10px; PADDING-TOP: 10px"
align=justify> </DIV>
<DIV align=justify>Thanks!</DIV>
<DIV align=justify> </DIV>
<DIV align=justify> </DIV>
<DIV align=justify>Wyllian.</DIV>
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<DIV align=justify> </DIV>
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<P align=center><FONT face=Verdana size=3>Wyllian Bezerra da Silva</FONT></P>
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