[QE-users] DFT-D3 in Quantum espresso

Priya Shrivastava priyashrivastava16 at gmail.com
Thu Apr 12 11:14:47 CEST 2018

Dear All,

I am a novice in QE . I have installed the qe-6.2.1 version of Quantum
Espresso by make all. I want to use DFT-D3  so i have following questions:

1. Do i need to compile dft-d3 again or is it pre-compiled already when i
first installed qe-6.21. by make all . I have run pwscf and it is running
correctly. Sorry if i sound stupid ( i dont have much idea about this)

2. if not then which tag should i use to invoke dft-d3 calculation . Also
for dft-d2 , i have generated the parameters by running
generate_vdw_kernel_table.x so please list the steps for running dft-d3 .

Please give elaborated answer. I would really appreciate it.

Best Regards,
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