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Dear Wien2k users,<br><br> I am trying to calculate DOS for a surface supercell but I am not sure why case.dos1evup file<br>shows only zeros in the columns for density of states. I have calculated DOS many times before<br>without any problem for bulk system. In my surface calculation I have used MPI version of wien2k <br>and have only one k-point. I have used the following steps as usual,<br><br>x lapw2 -c -qtl -p -up<br>x lapw2 -c -qtl -p -dn<br><br>edited case.int file<br><br>x tetra -up<br>x tetra -dn<br><br>I have tried different range of energies in case.int file but couldn't make it work. I would appreciate <br>if anyone can tell me how to solve this problem or whether there is a problem in calculating DOS<br>for only one k-point.<br><br>Thanks,<br>Fhokrul<br> <br /><hr />Hotmail: Trusted email with powerful SPAM protection. <a href='https://signup.live.com/signup.aspx?id=60969' target='_new'>Sign up now.</a></body>
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