Special treatment for old input file.

io/rw_inp.f90

@@ -619,15 +619,17 @@
       END IF
 !
       band = .false.
-      READ (UNIT=5,FMT=8050,END=992,ERR=992) sliceplot%iplot,input%score,sliceplot%plpot,band
-      WRITE (6,9240) sliceplot%iplot,input%score,sliceplot%plpot,band
+      READ (UNIT=5,FMT=8050,END=992,ERR=992) ldum,input%score,sliceplot%plpot,band
+      WRITE (6,9240) ldum,input%score,sliceplot%plpot,band
+      sliceplot%iplot=MERGE(1,0,ldum)
       IF (band) THEN
         banddos%dos=.true. ; banddos%ndir = -4
       ENDIF
       GOTO 993
  992  BACKSPACE(5)
-      READ (UNIT=5,FMT=8050,END=99,ERR=99) sliceplot%iplot,input%score,sliceplot%plpot
-      WRITE (6,9240) sliceplot%iplot,input%score,sliceplot%plpot,band
+      READ (UNIT=5,FMT=8050,END=99,ERR=99) ldum,input%score,sliceplot%plpot
+      WRITE (6,9240) ldum,input%score,sliceplot%plpot,band
+      sliceplot%iplot=MERGE(1,0,ldum)
 !
  993  READ (UNIT=5,FMT='(i3,2f10.6,6x,i3,8x,l1)',END=99,ERR=99)&
      &                sliceplot%kk,sliceplot%e1s,sliceplot%e2s,sliceplot%nnne,input%pallst
@@ -930,8 +932,8 @@
         WRITE (5,*)
       END IF
       band = .false.
-      WRITE (5,9240) sliceplot%iplot,input%score,sliceplot%plpot,band
- 9240 FORMAT ('iplot=',i5,',score=',l1,',plpot=',l1,',band=',l1)
+      WRITE (5,9240) ldum,input%score,sliceplot%plpot,band
+ 9240 FORMAT ('iplot=',l1,',score=',l1,',plpot=',l1,',band=',l1)
       WRITE (5,9250) sliceplot%kk,sliceplot%e1s,sliceplot%e2s,sliceplot%nnne,input%pallst
  9250 FORMAT (i3,2f10.6,',nnne=',i3,',pallst=',l1)
       WRITE(5,*) "No relaxation with old input anymore"

tests/tests/Bi2Te3/files/inp

@@ -99,7 +99,7 @@ swsp=F  1.00  1.00  1.00  1.00  1.00  1.00  0.00  0.00  0.00  0.00  0.00  0.00
 lflip=F  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
  
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111 111 111 111 111 111 111 111 111 111 111 111 111 111 111

tests/tests/Bi2Te3/files/inp2

@@ -99,7 +99,7 @@ swsp=F  1.00  1.00  1.00  1.00  1.00  1.00  0.00  0.00  0.00  0.00  0.00  0.00
 lflip=F  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
  
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111 111 111 111 111 111 111 111 111 111 111 111 111 111 111

tests/tests/CuBand/files/inp

@@ -34,7 +34,7 @@ swsp=F  1.00 -0.50
 lflip=F  1  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
  
-iplot=00000,score=F,plpot=F,band=t
+iplot=F,score=F,plpot=F,band=t
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111 111

tests/tests/CuBulk/files/inp

@@ -34,7 +34,7 @@ swsp=F  1.00 -0.50
 lflip=F  1  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
  
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111 111

tests/tests/CuBulk/files/inp2

@@ -34,7 +34,7 @@ swsp=F  1.00 -0.50
 lflip=F  1  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
  
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111 111

tests/tests/CuDOS/files/inp

@@ -34,7 +34,7 @@ swsp=F  1.00 -0.50
 lflip=F  1  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
  
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111 111

tests/tests/Cwann/files/inp

@@ -31,7 +31,7 @@ swsp=F  0.00
 lflip=F  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
 
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 001

tests/tests/Fe-Atom/files/inp

@@ -29,7 +29,7 @@ swsp=F  2.20
 lflip=F  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
  
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111

tests/tests/Fe_1l/files/inp

@@ -29,7 +29,7 @@ swsp=F  2.20
 lflip=F  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
  
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111

tests/tests/Fe_1l_SOC/files/inp

@@ -29,7 +29,7 @@ swsp=F  2.20
 lflip=F  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
  
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111

tests/tests/Fe_1l_SOC/files/inp2

@@ -29,7 +29,7 @@ swsp=F  2.20
 lflip=F  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
  
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111

tests/tests/Fe_bct/files/inp

@@ -34,7 +34,7 @@ swsp=F  2.20  2.20
 lflip=F  1  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
  
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111 111

tests/tests/Fe_bct/files/inp2

@@ -34,7 +34,7 @@ swsp=F  2.20  2.20
 lflip=F  1  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
  
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111 111

tests/tests/Fe_bct_LO/files/inp

@@ -34,7 +34,7 @@ swsp=F  2.20  2.20
 lflip=F  1  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
  
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111 111

tests/tests/Fe_bct_SOC/files/inp

@@ -34,7 +34,7 @@ swsp=F  2.20  2.20
 lflip=F  1  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
  
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111 111

tests/tests/Fe_fcc/files/inp

@@ -30,7 +30,7 @@ swsp=F  2.20
 lflip=F  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
  
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111

tests/tests/Fe_fcc/files/inp2

@@ -30,7 +30,7 @@ swsp=F  2.20
 lflip=F  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
  
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111

tests/tests/PTO-SOC/files/inf

@@ -49,7 +49,7 @@ swsp=F  0.00  0.00  0.00  0.00
 lflip=F  1  1  1  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
 
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111 111 111 111

tests/tests/PTO-SOC/files/inp

@@ -45,7 +45,7 @@ swsp=F  0.00  0.00  0.00  0.00
 lflip=F  1  1  1  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
  
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111 111 111 111

tests/tests/PTO-SOC/files/inp2

@@ -45,7 +45,7 @@ swsp=F  0.00  0.00  0.00  0.00
 lflip=F  1  1  1  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
  
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111 111 111 111

tests/tests/PTO-SOC/files/out

@@ -57,7 +57,7 @@ swsp=F  0.00  0.00  0.00  0.00
 lflip=F  1  1  1  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
 
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111 111 111 111

tests/tests/PTO/files/inf

@@ -49,7 +49,7 @@ swsp=F  0.00  0.00  0.00  0.00
 lflip=F  1  1  1  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
 
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111 111 111 111

tests/tests/PTO/files/inp

@@ -45,7 +45,7 @@ swsp=F  0.00  0.00  0.00  0.00
 lflip=F  1  1  1  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
  
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111 111 111 111

tests/tests/PTO/files/out

@@ -59,7 +59,7 @@ swsp=F  0.00  0.00  0.00  0.00
 lflip=F  1  1  1  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
 
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111 111 111 111

tests/tests/PTO_ldau/files/inf

@@ -49,7 +49,7 @@ swsp=F  0.00  0.00  0.00  0.00
 lflip=F  1  1  1  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
 
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111 111 111 111

tests/tests/PTO_ldau/files/inp

@@ -45,7 +45,7 @@ swsp=F  0.00  0.00  0.00  0.00
 lflip=F  1  1  1  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
  
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111 111 111 111

tests/tests/PTO_ldau/files/inp_lda

@@ -45,7 +45,7 @@ swsp=F  0.00  0.00  0.00  0.00
 lflip=F  1  1  1  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
  
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111 111 111 111

tests/tests/PTO_ldau/files/out

@@ -56,7 +56,7 @@ swsp=F  0.00  0.00  0.00  0.00
 lflip=F  1  1  1  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
 
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111 111 111 111

tests/tests/Si_film/files/inp

@@ -42,7 +42,7 @@ swsp=F  0.00  0.00  0.00
 lflip=F  1  1  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
  
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111 111 111

tests/tests/Si_film/files/inp_force

@@ -42,7 +42,7 @@ swsp=F  0.00  0.00  0.00
 lflip=F  1  1  1
 vacdos=f,layers= 0,integ=F,star=f,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
  
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111 111 111

tests/tests/TiO2eels/files/inp

@@ -38,7 +38,7 @@ swsp=F  0.00  0.00
 lflip=F  1  1
 vacdos=F,layers= 0,integ=F,star=F,nstars= 0     0.00     0.00     0.00     0.00,nstm=0,tworkf=  0.000000
  
-iplot=00000,score=F,plpot=F,band=F
+iplot=F,score=F,plpot=F,band=F
   0  0.000000  0.000000,nnne=  0,pallst=F
 xa=   2.00000,thetad= 330.00000,epsdisp=   0.00001,epsforce=   0.00001
 relax 111 111