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Questions related from Zahir Muhammad
I want to know how to calculate the Gibbs free energy in VASP . I have 1 T phase 2D materials structures and I want to know which kind of parameters I need to fixed in the INCAR file through I can...
16 December 2016 919 5 View
mpirun has exited due to process rank 0 with PID 31678 onnode node3 exiting improperly. There are two reasons this could occur: 1. this process did not call "init" before exiting, but others inthe...
25 October 2016 8,491 13 View
I calculated the dielectric properties of the material, now I want to calculate the reflectivity and absorption; I have two parts of dielectric functions real and imaginary. Can any one tell me...
25 April 2016 3,017 2 View
Which parameters is necessary for HSE06 calculations; I tried the parameters given in VASP website but, it did't work maybe there is some important parameters I missing. Please, someone guide me...
19 April 2016 3,632 19 View
I want to change the uniform strain, the range is from 10% to 15% with an increment of 1%, namely, both compressive strain and tensile strain and want to see the variations of energy eigenvalues...
18 April 2016 5,855 7 View
