Hi, Do the following steps and it will work:
Step 1: Add case.indmc file. Here is a sample for calculating orbital moments for two atoms. For the 1st atom it will calculate moment of d orbital and for the 2nd atom it will calculate moments of p and d orbitals. case.indmc -9. Emin cutoff energy 2 number of atoms for which density matrix is calculated 1 1 2 index of 1st atom, number of L's, L1 2 2 1 2 index of 2nd atom, number of L's, L1 1 3 r-index, (l,s)index Step 2: Do scf calculations with spin-orbit runsp_lapw -so Step 2: After SO calculation is converged do x lapwdm -c -so -up The result will be in case.scfdmup Best, Fhokrul > Date: Fri, 29 Jul 2011 13:05:36 +0530 > From: swetarekharam at gmail.com > To: wien-request at zeus.theochem.tuwien.ac.at; wien at > zeus.theochem.tuwien.ac.at > Subject: [Wien] Reg: orbital magnetic moment > > Dear User > > > I am using WIEN2k and I got some error. I am trying to calculate the > orbital magnetic moment and for that I am > using the command to run the calculation with Spin orbit coupling like > runsp_lapw -so -dm > But after executing this command I am getting the error > stop error: the required input file case.indmc for the next step could > not be found > please give suggestion in this regards > -- > > -- > Swetarekha Ram, > Research Scholar, > Dept. of Physics, > IIT Hyderabad. > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110729/02f38518/attachment.htm>