COMPUTER PROGRAMMING

Wannier90[code]

Wannier90 as a community code: new features and applications. [paper]
G. Pizzi, V. Vitale, R. Arita, S. Blugel, F. Freimuth, G. Geranton, M. Gibertini, D. Gresch, C. Johnson, T. Koretsune, J. Ibanez, H. Lee, J.-M. Lihm,
D. Marchand, A. Marrazzo, Y. Mokrousov, J. I. Mustafa, Y. Nohara, Y. Nomura, L. Paulatto, S. Ponce, T. Ponweiser, J. Qiao, F. Thole, S. S. Tsirkin,
M. Wierzbowska, N. Marzari, D. Vanderbilt, I. Souza, A. A. Mostofi, J. R. Yates
Journal of Physics: Condensed Matter, 32 165902 (2020)

Quantum ESPRESSO[code]

Implementation of the pSIC approach [paper]
Interpolation scheme in the el-ph part [paper]
Contribution to the pw2wannier utility

SIESTA[code]

Implementation of the LDA+U approach [paper]
Implementation of the pSIC approach [paper]

MOLCAS v.5.2[code]

Dept. of Theor. Chem., Chem. Center, Univ. of Lund, P.O.B. 124, S-221 00 Lund, Sweden, Lund, 2001
K. Andersson, M. Barysz, A. Bernhardsson, M.R.A. Blomberg, Y. Carissan, D.L. Cooper, M. Cossi, T. Fleig, M. P. Fulscher,
L. Gagliardi, C. de Graaf, B.A. Hess, G. Karlstrom, R. Lindh, P.-A. Malmqvist, P. Neogrady, J. Olsen, B.O. Roos, B. Schimmelpfennig,
M. Schutz, L. Seijo, L. Serrano-Andres, P.E.M. Siegbahn, J. Stalring, T. Thorsteinsson, V. Veryazov, M. Wierzbowska, P.-O. Widmark.

Private codes:

CHS: A program for the condensation energy calculations of the homogeneous electron gas in the pairing field with high angular momentum [code] [theory]

Code for the calculation of Tc within the SC-DFT, including spin fuctuations [theory]

Classical Monte Carlo simulations of the magnetic domains with the Ising model [theory]

Error ananlysis in the Maximum Entropy code for the DMFT spectrum postprocessing

ROHF method in the Prof. Staemmler's private code