7 Questions 17 Answers 0 Followers
Questions related from Chanchal Kumar Barman
Hello Superiors, I need yours expertise and kind help on using kdotp-symmetry package (weblink is attached). I am trying to generate k.p Hamiltonian using kdotp-symmetry. But I am unable to do it...
21 September 2018 7,195 1 View
Hello superiors,I am looking for a method (which is compatible with VASP) to do Transport calculations on Surface Slab (say 111, 001 or 110 surface ). I can do bulk transport calculation using...
16 March 2017 4,678 2 View
Hello Superiors, I have few questions related to Topological Insulators (TI). There are ab-initio surface band-structure calculation in TI. I liket to know answers on few of my following queries...
23 September 2016 7,870 10 View
Hi Superiors, Can you guys please give me some instructions on my following queries -- Is it possible to do Molecular Dynamics (AIMD) with Volume Relaxation (i.e., keeping ISIF = 3 in INCAR) in...
28 June 2016 8,001 4 View
I have a electronic structure (band-structure calculated using VASP), which contains \Gamma_{8}, \Gamma_{7}, \Gamma_{6} bands theoretically. Now, my question is, how can I identify and find out...
22 April 2016 2,487 4 View
Is it possible to make surface data for POSCAR file in VASP using VESTA ? Or any other way. Please somebody help me in details on this. Heartiest thanks in advance.
02 October 2015 9,473 13 View
Software to generate the single crystal surfacesDoes someone here know it there is any software to generate the single crystal surfaces from the bulk structure? Thanks in advance!
01 October 2015 4,683 11 View
