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Questions related from Saransha Mohanty
During the execution of Boltztrap, this error message is showing up. Kindly help. Thanking you.
30 October 2021 925 0 View
Hello everyone. How can we verify from band diagram, weather the band crossing is pointing towards Dirac metals or weyl metals or it is just normal band crossing.? What observation we should make?...
26 September 2021 2,686 2 View
Hello. I want to calculate dispersion curves for vdWH systems. I am trying it using quantum espresso with DFT-D vdw_correction. scf.in, ph.in, q2r.in are running fine, but when i do matdyn.x,...
22 September 2021 7,335 2 View
Hi (Namaste), Please help regarding this message "SCF correction compared to forces is large: reduce conv_thr to get better values". While performing vc_relax for monolayer, total force is found...
14 April 2021 2,295 0 View
Namaskar (Hi). I want to create monolayer of crystals of different crystal structures . How-ever, i am not able to fully understand 1) How to build a perfect monolayer ? 2) How to know the...
03 March 2021 2,321 5 View