M. Chaitanya Varma

5 Questions 18 Answers 0 Followers

Questions related from M. Chaitanya Varma

How to do deconvolution of peaks of XPS (X ray Photoelectron spectra)?

There are many softwares available, but can I know how to analyze XPS using origin or qtiplot etc plotting software?

02 February 2017 9,438 3 View

How to oversome error while using memory more memory in Gaussian calculation?

i would like to do DFT calculation for Crystals using Gaussian. While i tried for ZnO using PBC condition its giving error and asking to allocate more memory. If i give like 2GB memory again it...

02 February 2016 5,885 2 View

How can I find the value of translation vectors, labeled by Tv for calculating band structure of a crystal using Gaussian?

Atomic positions in a crystal can be given from .cif file, but to consider PBC we have to give translation vectorsTv. in each direction how to know a specific value that to be given?

11 November 2015 6,396 3 View

When si.scf.in is compiled in quantum espresso MPI_ABORT an error is showing - can anyone help?

I typed pw.x si.scf.out, as given in tutorial. How to avoid this error?

05 May 2014 7,222 4 View

Can we implement a plane wave approach or LAPW in GAMESS (US)?

Since these are being implemented in ABINIT or CP2K for materials science problems, I would like to know the possibility of using the same with GAMESS.

04 April 2014 3,529 1 View