<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman,new york,times,serif;font-size:12pt">Dear Nazari,<br><br>This is well known (and OLD) error, if you search the forum archive. Please take time to learn from the archive why this happens. Or see Troubleshooting in User Guides in /Doc. You will be surprised how many reasons there are for this error.<br>And see possible solution.<br><br>Please also give correct Subject for your message, as the error is not connected to any alloy calculation.<br><br>Bests,<br>Eyvaz.<br>-------------------------------------------------------------------<br>Prof. Eyvaz Isaev, <br>Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden <br>Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, <br>isaev@ifm.liu.se, eyvaz_isaev@yahoo.com<div><br></div><div style="font-family: times new roman,new
york,times,serif; font-size: 12pt;"><br><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><font face="Tahoma" size="2"><hr size="1"><b><span style="font-weight: bold;">From:</span></b> "nazari@iasbs.ac.ir" <nazari@iasbs.ac.ir><br><b><span style="font-weight: bold;">To:</span></b> PWSCF Forum <pw_forum@pwscf.org><br><b><span style="font-weight: bold;">Sent:</span></b> Wed, December 8, 2010 9:55:44 AM<br><b><span style="font-weight: bold;">Subject:</span></b> Re: [Pw_forum] band_structure_alloys<br></font><br>
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<p>Check the nbnd.</p><p></p><p></p><p></p><p>>
Hello all, I want to calculate band structure of Gax(In1-x)As, (x =0.25,
<br>> 0.50, 0.75) for x =0.25 I have done it, but the others the
program don t <br>> work, and it give us following result; <br>>
<br>> c_bands:2 eigenvalues not converged <br>> <br>>
&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&
<br>> from cdiaghg : error# 91 <br>> diagonalization (ZHEGV*)
failed <br>>
&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&
<br>> <br>> I have never run into like this problem. <br>>
<br>> What can I do, I don t know, If you help me it will be very
very good. <br>> <br>> Thanks a lot <br>>
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