[SIESTA-L] Unit of length for atomic positions

2017-12-26 Por tôpico Soumaia Djaadi
Hi User ! What is the unit of length for atomic positions the atoms stored in the siesta .DIM output file ? ThanksSoumaia Djaadi

Re: [SIESTA-L] Fwd: problem with converging mesh-cutoff and K-grid points

2017-12-26 Por tôpico Sunetra Das
Dear Andrei Postnikov Sir, Can you please guide me in how to do the 'eggbox test' ? I have gone through the tutorials and examples but am still unclear on how to do that test for a system. Will be very much thankful if you let me know the steps on testing the eggbox effect and eliminating it. I ha