<html xmlns:v="urn:schemas-microsoft-com:vml" xmlns:o="urn:schemas-microsoft-com:office:office" xmlns:w="urn:schemas-microsoft-com:office:word" xmlns:m="http://schemas.microsoft.com/office/2004/12/omml" xmlns="http://www.w3.org/TR/REC-html40"><head><meta http-equiv=Content-Type content="text/html; charset=us-ascii"><meta name=Generator content="Microsoft Word 14 (filtered medium)"><style><!--
/* Font Definitions */
@font-face
{font-family:"Cambria Math";
panose-1:2 4 5 3 5 4 6 3 2 4;}
@font-face
{font-family:"Malgun Gothic";
panose-1:2 11 5 3 2 0 0 2 0 4;}
@font-face
{font-family:Calibri;
panose-1:2 15 5 2 2 2 4 3 2 4;}
@font-face
{font-family:Tahoma;
panose-1:2 11 6 4 3 5 4 4 2 4;}
@font-face
{font-family:"Malgun Gothic";
panose-1:2 11 5 3 2 0 0 2 0 4;}
/* Style Definitions */
p.MsoNormal, li.MsoNormal, div.MsoNormal
{margin:0in;
margin-bottom:.0001pt;
font-size:11.0pt;
font-family:"Calibri","sans-serif";}
a:link, span.MsoHyperlink
{mso-style-priority:99;
color:blue;
text-decoration:underline;}
a:visited, span.MsoHyperlinkFollowed
{mso-style-priority:99;
color:purple;
text-decoration:underline;}
p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
{mso-style-priority:99;
mso-style-link:"Balloon Text Char";
margin:0in;
margin-bottom:.0001pt;
font-size:8.0pt;
font-family:"Tahoma","sans-serif";}
span.EmailStyle17
{mso-style-type:personal-compose;
font-family:"Calibri","sans-serif";
color:windowtext;}
span.BalloonTextChar
{mso-style-name:"Balloon Text Char";
mso-style-priority:99;
mso-style-link:"Balloon Text";
font-family:"Tahoma","sans-serif";}
.MsoChpDefault
{mso-style-type:export-only;
font-family:"Calibri","sans-serif";}
@page WordSection1
{size:8.5in 11.0in;
margin:85.05pt 1.0in 1.0in 1.0in;}
div.WordSection1
{page:WordSection1;}
--></style><!--[if gte mso 9]><xml>
<o:shapedefaults v:ext="edit" spidmax="1026" />
</xml><![endif]--><!--[if gte mso 9]><xml>
<o:shapelayout v:ext="edit">
<o:idmap v:ext="edit" data="1" />
</o:shapelayout></xml><![endif]--></head><body lang=EN-US link=blue vlink=purple><div class=WordSection1><p class=MsoNormal>Dear QE developers and users,<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>I am trying to get Fermi surface using kvecs_FS.x and bands_FS.x. I have followed example08 and have succeeded to get K-points using kvecs_FS.x. However, I got following error message when I execute bands_FS.x:<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>At line 230 of file bands_FS.f90<o:p></o:p></p><p class=MsoNormal>Fortran runtime error: Bad real number in item 13 of list input<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Line 230 of bands_FS.f90 is about reading spin-up energies…. But I have no idea why the code is not working. FYI, I added my input files for kvecs_FS.x and bands_FS.x:<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>kvecs_FS.in:<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>0.317093 0.00 0.00<o:p></o:p></p><p class=MsoNormal>0.00 0.317093 0.00<o:p></o:p></p><p class=MsoNormal>0.00 0.00 0.317093<o:p></o:p></p><p class=MsoNormal>12 12 12<o:p></o:p></p><p class=MsoNormal>CWrium<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>input_FS.in:<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>10 14<o:p></o:p></p><p class=MsoNormal>22.8158<o:p></o:p></p><p class=MsoNormal>CWrium<o:p></o:p></p><p class=MsoNormal>12 12 12<o:p></o:p></p><p class=MsoNormal>0.317093 0.00 0.00<o:p></o:p></p><p class=MsoNormal>0.00 0.317093 0.00<o:p></o:p></p><p class=MsoNormal>0.00 0.00 0.317093<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Here, 10 14 are min. and max. band no. (no. of bands for my SCF calc. is 20), and 22.8158 is Fermi energy. <o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Again, your help will truly be appreciated. I cc’ed Dr. Eyvaz Isaev who is the author of the two codes. <o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Sincerely,<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Chan-Woo<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><i><span style='font-size:10.0pt;font-family:"Arial","sans-serif"'>-------<br>Chan-Woo Lee, Ph.D.<o:p></o:p></span></i></p><p class=MsoNormal><i><span style='font-size:10.0pt;font-family:"Arial","sans-serif"'>Postdoctoral Research Associate<o:p></o:p></span></i></p><p class=MsoNormal><i><span style='font-size:10.0pt;font-family:"Arial","sans-serif"'><o:p> </o:p></span></i></p><p class=MsoNormal><i><span style='font-size:10.0pt;font-family:"Arial","sans-serif"'>Department of Chemistry<br>University of Pennsylvania<br>231 South 34th Street<br>Philadelphia, PA 19104-6323 <br>Phone: 1-215-898-3564 (Office)<br><br></span></i><span style='font-size:10.0pt;font-family:"Arial","sans-serif"'><o:p></o:p></span></p><p class=MsoNormal><o:p> </o:p></p></div></body></html>