[Wien] FW: [Wien2k Users] ENE Warning

2009-12-17 Thread Ghosh SUDDHASATTWA
Dear Stefaan The following message appears even when I have taken 816 k-points However the same value of the total energy comes that is -56165.959 QTL-B VALUE .EQ.2.21775 in Band of energy1.39668 ATOM=1 L= 3 Most likely no ghostbands, but adjust Energy-parameters or use

[Wien] FW: [Wien2k Users] ENE Warning

2009-12-17 Thread Stefaan Cottenier
The following message appears even when I have taken 816 k-points However the same value of the total energy comes that is -56165.959 QTL-B VALUE .EQ.2.21775 in Band of energy1.39668 ATOM=1 L= 3 Most likely no ghostbands, but adjust Energy-parameters or use -in1ef /