<html><body><div><p>Dear Bhat Tahir, </p><p>The problem can be in your case.in1 file. </p><p>Will you first try the suggested solutions at </p><p>http://www.wien2k.at/reg_user/faq/qtlb.html </p><p>HTH </p><p>Tomas </p><p><br></p><p>---------- Původní zpráva ----------<br>Od: bhat tahir <bhattahir682@gmail.com><br>Komu: wien@zeus.theochem.tuwien.ac.at<br>Datum: 22. 3. 2016 12:34:21<br>Předmět: [Wien] error in calculation</p><br><blockquote><div><div><div>dear sir, <br>when i tried to calculate the c/a ratio at constant vol.there seems an error<br>no energy limits found for atom 1 L= 1 <br> 'SELECT' - E-bottom -3.72923 E-top -200.00000 <br></div>i want to know where to adjust this energy..<br></div>
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