regarding dense k-mesh

[koppolu mahendra]

Dear Elk Users,

          I am planning to calculate the thermo-electric(TE) properties after finding the ground-state using Elk code. For converging TE results, the Eigen values has to be calculated on dense k-grid.

          In one of the article (https://doi.org/10.1016/j.jallcom.2018.11.141) authors have calculated the ground state using 8x8x8 k-points and for TE     calculation the it has been increased to 76x76x76 k-points.

          In the usual way task '0' --gound state and 20 for band structure...        Is there any method in elk where eigen values are calculated again on dense grid without going to task'0' again.

Mahendra

[Sangeeta Sharma]

Run ground state with
tasks
0
ngridk
8 8 8

Then run another run with
tasks
1
ngridk
76 76 76
maxscl
1