fixed a bug in icbm

xh125 · Sep 28, 2021 · 25ffdd9 · 25ffdd9
1 parent 78f6fca
commit 25ffdd9
Showing 1 changed file with 9 additions and 8 deletions.
diff --git a/src_complex/readepw.f90 b/src_complex/readepw.f90
@@ -1084,15 +1084,15 @@ subroutine readepwout(fepwout)
       read(unitepwout,"(5X,28X,f9.5,14X,i6)") scissor,icbm
       scissor = scissor/ryd2eV
     else
-      IF (noncolin) THEN
-        icbm = FLOOR(nelec / 1.0d0) + 1
-      ELSE
-        icbm = FLOOR(nelec / 2.0d0) + 1
-      ENDIF      
+      !IF (noncolin) THEN
+      !  icbm = FLOOR(nelec / 1.0d0) + 1
+      !ELSE
+      !  icbm = FLOOR(nelec / 2.0d0) + 1
+      !ENDIF      
     endif
 
-    WRITE(stdout, '(/5x," icbm(conductor band mim) = ",i6)' ) icbm
-    WRITE(stdout, '(5x," ivbm(valence   band max) = ",i6)' ) icbm-1
+    !WRITE(stdout, '(/5x," icbm(conductor band mim) = ",i6)' ) icbm
+    !WRITE(stdout, '(5x," ivbm(valence   band max) = ",i6)' ) icbm-1
 
 
     !
@@ -1322,7 +1322,8 @@ subroutine readepwout(fepwout)
     ecbmin = Minval(etf(ncbmin,:))
     WRITE(stdout,'(/14x,a,i5,2x,a,f9.3,a)') 'Valence band max   = ', nvbmax, 'evbmax = ', evbmax , ' eV'
     WRITE(stdout,'(14x,a,i5,2x,a,f9.3,a/)') 'Conductor band min = ', ncbmin, 'ecbmin = ', ecbmin , ' eV'    
-    if(icbm /= ncbmin) write(stdout,"(5X,A)") "Warning! The nelec need to be set right."
+    icbm = ncbmin
+    !if(icbm /= ncbmin) write(stdout,"(5X,A)") "Warning! The nelec need to be set right."
 
 		etf = etf/ryd2eV
     evbmax = evbmax/ryd2eV