Commit 5d9e5092 authored by Robin's avatar Robin

Correct format in fixed format.

parent 9d3297f8
...@@ -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 ...@@ -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 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 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 relax 111 111 111 111 111 111 111 111 111 111 111 111 111 111 111
......
...@@ -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 ...@@ -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 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 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 relax 111 111 111 111 111 111 111 111 111 111 111 111 111 111 111
......
...@@ -34,7 +34,7 @@ swsp=F 1.00 -0.50 ...@@ -34,7 +34,7 @@ swsp=F 1.00 -0.50
lflip=F 1 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=t iplot=00000,score=F,plpot=F,band=t
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 111 relax 111 111
......
...@@ -34,7 +34,7 @@ swsp=F 1.00 -0.50 ...@@ -34,7 +34,7 @@ swsp=F 1.00 -0.50
lflip=F 1 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 111 relax 111 111
......
...@@ -34,7 +34,7 @@ swsp=F 1.00 -0.50 ...@@ -34,7 +34,7 @@ swsp=F 1.00 -0.50
lflip=F 1 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 111 relax 111 111
......
...@@ -34,7 +34,7 @@ swsp=F 1.00 -0.50 ...@@ -34,7 +34,7 @@ swsp=F 1.00 -0.50
lflip=F 1 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 111 relax 111 111
......
...@@ -31,7 +31,7 @@ swsp=F 0.00 ...@@ -31,7 +31,7 @@ swsp=F 0.00
lflip=F 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 001 relax 001
......
...@@ -29,7 +29,7 @@ swsp=F 2.20 ...@@ -29,7 +29,7 @@ swsp=F 2.20
lflip=F 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 relax 111
......
...@@ -29,7 +29,7 @@ swsp=F 2.20 ...@@ -29,7 +29,7 @@ swsp=F 2.20
lflip=F 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 relax 111
......
...@@ -29,7 +29,7 @@ swsp=F 2.20 ...@@ -29,7 +29,7 @@ swsp=F 2.20
lflip=F 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 relax 111
......
...@@ -29,7 +29,7 @@ swsp=F 2.20 ...@@ -29,7 +29,7 @@ swsp=F 2.20
lflip=F 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 relax 111
......
...@@ -34,7 +34,7 @@ swsp=F 2.20 2.20 ...@@ -34,7 +34,7 @@ swsp=F 2.20 2.20
lflip=F 1 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 111 relax 111 111
......
...@@ -34,7 +34,7 @@ swsp=F 2.20 2.20 ...@@ -34,7 +34,7 @@ swsp=F 2.20 2.20
lflip=F 1 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 111 relax 111 111
......
...@@ -34,7 +34,7 @@ swsp=F 2.20 2.20 ...@@ -34,7 +34,7 @@ swsp=F 2.20 2.20
lflip=F 1 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 111 relax 111 111
......
...@@ -34,7 +34,7 @@ swsp=F 2.20 2.20 ...@@ -34,7 +34,7 @@ swsp=F 2.20 2.20
lflip=F 1 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 111 relax 111 111
......
...@@ -30,7 +30,7 @@ swsp=F 2.20 ...@@ -30,7 +30,7 @@ swsp=F 2.20
lflip=F 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 relax 111
......
...@@ -30,7 +30,7 @@ swsp=F 2.20 ...@@ -30,7 +30,7 @@ swsp=F 2.20
lflip=F 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 relax 111
......
...@@ -49,7 +49,7 @@ swsp=F 0.00 0.00 0.00 0.00 ...@@ -49,7 +49,7 @@ swsp=F 0.00 0.00 0.00 0.00
lflip=F 1 1 1 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 111 111 111 relax 111 111 111 111
......
...@@ -45,7 +45,7 @@ swsp=F 0.00 0.00 0.00 0.00 ...@@ -45,7 +45,7 @@ swsp=F 0.00 0.00 0.00 0.00
lflip=F 1 1 1 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 111 111 111 relax 111 111 111 111
......
...@@ -45,7 +45,7 @@ swsp=F 0.00 0.00 0.00 0.00 ...@@ -45,7 +45,7 @@ swsp=F 0.00 0.00 0.00 0.00
lflip=F 1 1 1 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 111 111 111 relax 111 111 111 111
......
...@@ -57,7 +57,7 @@ swsp=F 0.00 0.00 0.00 0.00 ...@@ -57,7 +57,7 @@ swsp=F 0.00 0.00 0.00 0.00
lflip=F 1 1 1 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 111 111 111 relax 111 111 111 111
......
...@@ -49,7 +49,7 @@ swsp=F 0.00 0.00 0.00 0.00 ...@@ -49,7 +49,7 @@ swsp=F 0.00 0.00 0.00 0.00
lflip=F 1 1 1 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 111 111 111 relax 111 111 111 111
......
...@@ -45,7 +45,7 @@ swsp=F 0.00 0.00 0.00 0.00 ...@@ -45,7 +45,7 @@ swsp=F 0.00 0.00 0.00 0.00
lflip=F 1 1 1 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 111 111 111 relax 111 111 111 111
......
...@@ -59,7 +59,7 @@ swsp=F 0.00 0.00 0.00 0.00 ...@@ -59,7 +59,7 @@ swsp=F 0.00 0.00 0.00 0.00
lflip=F 1 1 1 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 111 111 111 relax 111 111 111 111
......
...@@ -49,7 +49,7 @@ swsp=F 0.00 0.00 0.00 0.00 ...@@ -49,7 +49,7 @@ swsp=F 0.00 0.00 0.00 0.00
lflip=F 1 1 1 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 111 111 111 relax 111 111 111 111
......
...@@ -45,7 +45,7 @@ swsp=F 0.00 0.00 0.00 0.00 ...@@ -45,7 +45,7 @@ swsp=F 0.00 0.00 0.00 0.00
lflip=F 1 1 1 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 111 111 111 relax 111 111 111 111
......
...@@ -45,7 +45,7 @@ swsp=F 0.00 0.00 0.00 0.00 ...@@ -45,7 +45,7 @@ swsp=F 0.00 0.00 0.00 0.00
lflip=F 1 1 1 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 111 111 111 relax 111 111 111 111
......
...@@ -56,7 +56,7 @@ swsp=F 0.00 0.00 0.00 0.00 ...@@ -56,7 +56,7 @@ swsp=F 0.00 0.00 0.00 0.00
lflip=F 1 1 1 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 111 111 111 relax 111 111 111 111
......
...@@ -42,7 +42,7 @@ swsp=F 0.00 0.00 0.00 ...@@ -42,7 +42,7 @@ swsp=F 0.00 0.00 0.00
lflip=F 1 1 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 111 111 relax 111 111 111
......
...@@ -42,7 +42,7 @@ swsp=F 0.00 0.00 0.00 ...@@ -42,7 +42,7 @@ swsp=F 0.00 0.00 0.00
lflip=F 1 1 1 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 vacdos=f,layers= 0,integ=F,star=f,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 111 111 relax 111 111 111
......
...@@ -38,7 +38,7 @@ swsp=F 0.00 0.00 ...@@ -38,7 +38,7 @@ swsp=F 0.00 0.00
lflip=F 1 1 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 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000
iplot= 0,score=F,plpot=F,band=F iplot=00000,score=F,plpot=F,band=F
0 0.000000 0.000000,nnne= 0,pallst=F 0 0.000000 0.000000,nnne= 0,pallst=F
xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001
relax 111 111 relax 111 111
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment