[QE-users] Fw:A problem about casino2upf.x

18877202195 18877202195 at 163.com
Wed Nov 7 01:22:21 CET 2018


 I am a postgraduate student from Sichuan university, my main research interests is Quantum Monte Carlo calculations.
DFT trial wave functions produced by PWSCF must be generated using the same pseudopotential as in the subsequent QMC calculation. So I want to convert CASINO tabulated format to UPF format, I find the casino2upf utility in qe-6.3/upftools directory,
But I can't use this utility, Can you give me some examples?

I will be appreciated for your reply, thank you very much.
                                                                                                                                   Wang ting

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