Tikaram Neupane

5 Questions 10 Answers 0 Followers

Questions related from Tikaram Neupane

Can we use different Multiplicity value for total energy calculation using Quantum Espresso? If yes, How do I set this parameters in input variable?

Using different Multiplicity values

07 July 2015 9,844 2 View

Optical properties by quantum espresso?

When I run code to calculate electric dipole of Halide Perovskite, It always said, HYBRID XC not implemented in CPV. How can I solve this problem?

03 March 2015 6,217 1 View

Can I get atomic position of CH3NH3PbI3 in angstrom?

For calculating ground state energy of CH3NH3PbI3 by using Quantum espresso.

02 February 2015 3,425 5 View

How can I solve this Quantum Espresso Error?

When I started to run the Quantum espresso Software, It says this error MPI_ABORT was invoked on rank 6 in communicator MPI_COMM_WORLD with errorcode 0. NOTE: invoking MPI_ABORT causes Open MPI...

02 February 2015 5,906 7 View

Can any one help me with a Quantum Espresso Error?

I am trying to run Quantum Espresso software. But it says " /home/tikaram/espresso-5.0.2/PW/examples/example01 : starting This example shows how to use pw.x to calculate the total energy and the...

01 January 2015 8,817 7 View