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