Merge pull request #123 from Qx80610702/develop

dyzheng · web-flow · commit 43fd16990b40 · 2022-04-13T22:15:13.000+08:00
Adjust bands output for DFT+DMFT
diff --git a/source/src_lcao/dmft.cpp b/source/src_lcao/dmft.cpp
@@ -352,7 +352,10 @@ namespace ModuleDMFT
               << std::setw(6) << iband
               << std::setw(6) << ik
               << std::setw(25) << std::fixed << std::setprecision(15) 
-              << ekb[ik+is*nks_tot][iband]/2.0 << std::endl;          //Rydberg to Hartree
+              << ekb[ik+is*nks_tot][iband]/2.0 
+              << std::setw(17) << std::fixed << std::setprecision(12)
+              << GlobalC::wf.wg(ik,iband)/GlobalC::kv.wk[ik]
+              << std::endl;          //Rydberg to Hartree
         }
       }
     }

Original file line number	Diff line number	Diff line change
`@@ -352,7 +352,10 @@ namespace ModuleDMFT`
`352`	`352`	`<< std::setw(6) << iband`
`353`	`353`	`<< std::setw(6) << ik`
`354`	`354`	`<< std::setw(25) << std::fixed << std::setprecision(15)`
`355`		`- << ekb[ik+is*nks_tot][iband]/2.0 << std::endl; //Rydberg to Hartree`
	`355`	`+ << ekb[ik+is*nks_tot][iband]/2.0`
	`356`	`+ << std::setw(17) << std::fixed << std::setprecision(12)`
	`357`	`+ << GlobalC::wf.wg(ik,iband)/GlobalC::kv.wk[ik]`
	`358`	`+ << std::endl; //Rydberg to Hartree`
`356`	`359`	`}`
`357`	`360`	`}`
`358`	`361`	`}`