comscope Goto Github PK
Name: Comscope
Type: Organization
Bio: At Comscope we produce ComDMFT, LQSGW, ComCTQMC, ComRISB, and two more github repositories at NSLS-II/edrixs and yaoyongxin/CyGutz.
Location: United States of America
Name: Comscope
Type: Organization
Bio: At Comscope we produce ComDMFT, LQSGW, ComCTQMC, ComRISB, and two more github repositories at NSLS-II/edrixs and yaoyongxin/CyGutz.
Location: United States of America
Continuous Time Quantum Monte Carlo
ComDMFT is an ab initio code for simulating correlated quantum materials with crystalline symmetry. It combines the LQSGW code's DFT or qsGW calculations with an impurity problem describing strong on-atom correlations. The impurity problem is set up using Wannier90 and cRPA, and is solved with DMFT and the ComCTQMC impurity solver.
ComRISB is one part of ComDMFT's Gutzwiller functionality. ComDMFT's Gutzwiller functionality depends on CyGUTZ (cygutz.readthedocs.io and gitlab.com/yxphysics/cygutz), pygrisb, and ComRISB which is python scripts that control CyGUTZ and pygrisb. The three together are available in ComDMFT, and in the June 2021 Virtual Machine.
The tutorial for comrisb, a subpackage of comsuite to perform DFT+G-RISB calculations. This tutorial was used at the June 2021 online school.
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