Greetings from Prof Rajagopalan Anna University Chennai India This query is about BoltzTraP I donwloaded the code and compiled with out any problem. I wanted to run for a test case namely Al as given as an example. I took the lattice constant and ran for less number of points and achieved SCF Then I increaed the number of points as given in the example Using the case.energy and case.intrans as given in the example I ran BoltzTraP. When I compare case.trace with that given in the example. there is complete disagreement between the two. I donot know what could be the reason. Will someone give me a clue Regards and thanks in advance Rajagopalan
-- * Dr M.RajagopalanConsultant (DRDO Project)Crystal Growth Center 20 6th Main RoadAnna University ChromepetChennai 600 025 Chennai 600 044Phone # 22213023 (R) 22359208 (O)Mobile 9445125709*"Believe Me, though I pass away, My bones in My tomb will be speaking, moving and discussing your welfare. Go where ever you like, around the wide world, over the seven seas, I am always with you. My abode is in your heart. Always worship Me who is seated in your heart as well as the heart of all other beings. Blessed and fortunate indeed is he, who knows Me thus" -- Shirdi Sai Baba.
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