[Wien] spin moment in case.scf and case.scfdmup

Dist. Tianjin 300071, China Email: bshao at mail.nankai.edu.cn -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120106/43a9624f/attachment.htm

[Wien] PBS

Dear Laurence, your last lines are exactly what we need ! Thank you for this. set remote = /bin/csh $WIENROOT/pbsh $WIENROOT/pbsh is just mpirun -x LD_LIBRARY_PATH -x PATH -np 1 --host $1 /bin/csh -c $2 I will try but I pretty sure that it will work fine. Regards Florent Le 05/01/2012

[Wien] I still have problem with wienk in parallel mode

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[Wien] LAPW Error!

This error might be caused by a case.struct file format problem similar to: http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-February/014301.html or a user setup/input problem similar to: http://zeus.theochem.tuwien.ac.at/pipermail/wien/2010-November/013994.html On 1/6/2012 1:30 PM,