subject:"\[Wien\] help\: EFERMI OUT OF ENERGY RANGE"

[Wien] help: EFERMI OUT OF ENERGY RANGE

2010-08-03 Thread arlonni

Thanks, Dr. Blaha. the NUME was increased and It works now! -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100803/e83a6a17/attachment.htm

[Wien] help: EFERMI OUT OF ENERGY RANGE

2010-08-02 Thread arlonni

Hi all, I am trying calulate the 3x3x3 supercell of PbTe, but the lapw2 gives Error info as below: 'FERMI' - EFERMI OUT OF ENERGY RANGE 'FERMI' - STOP IN EFI 'FERMI' - ENERGY OF LOWER BOUND :