One possible solution is to run; run -in1new 1
This changes the case.in1 You may need to run it few times. ________________________________ De: wien-boun...@zeus.theochem.tuwien.ac.at <wien-boun...@zeus.theochem.tuwien.ac.at> en nombre de sikandar azam <sikandar...@yahoo.com> Enviado: martes, 15 de julio de 2014 04:35 a.m. Para: Wien@zeus.theochem.tuwien.ac.at Asunto: [Wien] (no subject) Dear All Please help me how to solve this problem Error in LAPW1 'SELECT' - no energy limits found for atom 1 L= 0 'SELECT' - E-bottom -200.00000 E-top -200.00000 with regards sikander
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