How to determine values of ndivk for band calculations
Moderator: bguster
How to determine values of ndivk for band calculations
How does one determine the values of ndivk for the input file for a band structure calculation, e.g, 10, 12, 17 in tuitorial 3/t3.5 (silicon)? After running the tutorial I tried to have abinit determine the values by substituting ndivsm (ndivsm 10) for ndivk, but abinit gives me an error message, insisting that, since kptopt is negative, I must initialize ndivk. Any suggestions would be appreciated.