[Wien] mBJ calculation

sincerely Jameson Maibam -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120705/487378ad/attachment.htm

[Wien] Generating Structure of a spacegroup Problem :(

was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120705/c72ff98a/attachment.htm

[Wien] QTL-B Error

-- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120705/09b8da95/attachment.htm

[Wien] QTL-B Error

i checked my *case.in1c* file, it does not have any other line for L=2. However, you have L=1 lines with energies that are near to the value for which you got the QTL-B error for L=2 (-3.20 Ry). That should not happen. Something else is definitely wrong. Bad RMT-values? (did you accept the

[Wien] How to flip the spins in instgen_lapw

dstart. The error are Rotdef not defined. Pls help me to solve this issue. Thanks in advance M. P. Ghimire NIMS -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120705/a0ff6d78/attachment.htm

[Wien] Generating Structure of a spacegroup Problem :(

/pipermail/wien/attachments/20120705/05222609/attachment.htm

[Wien] error nn

://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120705/3faef6f8/attachment.htm

[Wien] Carrier Density of ZrO2

to where I can find the carrier density (in unit of say 10^18 per cm cube) in my output or how to obtain it.? Thank you very much for your help. -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120705

[Wien] error nn

/attachments/20120705/adeb9650/attachment.htm