[QE-users] Fortran runtime error in lambda.x calculation

with this, could you also tell me which value of lambda to use? The code will calculate lambda and Tc for different broadening. So, which one is to choose? Regards, *Bharat Thapa* *PhD student* *University of New South Wales* ___ Quantum ESPRESSO

[QE-users] e-p coupling

for all the broadening? 3) In the same 'lambda' file, the last column is in omega_ln [K], so is this critical temperature in kelvin or it is omega_ln. If it is omega_ln then I guess we have to use Mcmillan formula to calculate critical temperature from this? Regards, *Bharat Thapa* *PhD student

[QE-users] electron-phonon calculations error

uot; What is going on here? Please help. Regards, *Bharat Thapa* ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users

Re: [QE-users] Inconsistency of vc-relax output file

On Mon, 8 Jul 2019 at 9:15 pm, Bharat Thapa wrote: > Dear Paolo, > > Sorry for the late reply, however, I am wondering in this case, how do I > calculate the vc-relaxed lattice parameter? If it were cubic I would have > multiplied the output CELL_PARAMETER with the lattice and

Re: [QE-users] Inconsistency of vc-relax output file

closer. Please enlighten me on this; I am struggling a lot. Thank you! *Bharat Thapa* On Mon, Mar 25, 2019 at 7:27 AM Paolo Giannozzi wrote: > Is the problem here the loss of the original symmetry of the lattice? if > hexagonal symmetry was present in the starting structure, it isn'

[QE-users] Interpreting vc-relax output

tion at the relaxed structure. The G-vectors are recalculated for the final unit cell Results may differ from those at the preceding step. * Regards, *Bharat Thapa* ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso

[QE-users] Inconsistency of vc-relax output file

the vc-relax did not crash meaning that everything is fine? Please help me in this regard. Kind regards, Bharat Thapa PhD student UNSW ___ users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users

[QE-users] (no subject)

Bot I am not sure what happened and why it stopped without any error message. What should I do? I am running this parallel on 64 cores. I have never found such strange situation before and was able to solve it via googling but this time I am helpless. Please help me! *Bharat Thapa