Dear pwscf users and developpers,
Best wishes for the New Year!
I have trouble with phonon calculations on magnetic insulators: the
calculations works well at gamma (k=0) point, and I am able to compute
dielectric tensor and effective charges, but as soon as I try out of the
zone center, the
Dears;
In DOS calculation, I am used the grep the reference fermi energy from the
SCF calculation not the NSCF calculation, but in the newer versions of QE,
the fermi energy value is printed in the outcome of dos.x as gripped from
the NSCF output file not the SCF outcome. Also, using a nice tool
Hello,
Well, my card is actually GTX1060 but I didn't bought it especially for
calculations.
Just from my built-in curiosity, and I know the game is not worth the
candle, I want try to run it anyway and close that 'chapter' of my life
:) I will post here some tests results - as I was
