QUANTUM ESPRESSO v.7.3 release notes

New in 7.3 version:

• Experimental support for pseudopotentials in PSML format
• Noncollinear implementation of DFT+U and DFT+U+V in the Dudarev's formulation, including the calculation of Hubbard forces, stresses, and Hubbard parameters (L. Binci and N. Marzari, Phys. Rev. B 108, 115157 (2023)). Experimental stage. If J is not specified in the input, then this new implementation is used, otherwise the Liechtenstein implementation is used (see Doc/Hubbard_input for more details).
• EPW v5.8 with new features including, wannier function perturbation theory for electron self-energy, phonon-assisted optical absorption for full range of photon energy, electron-phonon matrix for 2D system, and addition of anharmonic special displacement using special displacement method.

Incompatible changes in 7.3 version:

• Small changes in options "iprint" and "disk_io" of PWscf
• More pseudopotential-related code restructured and moved to upflib/

Fixed in 7.3 version:

• Incorrect PP_SEMILOCAL field written for old-style pseudopotentials. May cause crashes (but not bad numbers). Reported by Jibiao Li.
• Wrong output from Libxc-based gga-exchange functionals (gga_x) due to a bad multiplicative factor (v7.2 only, noticed by Peter Kraus). The exchange+correlation ones (gga_xc) were not affected.
• The seed for random numbers was not set after the first run. As a result, all subsequent runs used the same sequence of random numbers. Affects only thermostats in Verlet dynamics for pw.x. Noticed by Han Hsu, NCU Taiwan.