Update InputTemplateB.txt

doc/InputTemplateB.txt

@@ -8,12 +8,22 @@ tetr 59.4 42.4 67.2 25.7 3.8 -4.4
 # External isostatic pressure of crystal (GPa), default:0 GPa
 pressure 0.00
 
+
+# density of crystal cell (g/cm^3), default: 1.0 (g/cm^3)
+density 1.0
+
+# volume of crystal cell (A^3), default: 1.0 (Å^3)
+volume 1.0
+
+# total number of atoms in crystal cell
+atomnum 1
+
 nmesh3d 200.00 400.00 360.00 # 3D mesh number of theta(θ), phi(φ), chi (χ)
 
 # properties — Pro(2*8)
 properties
-1 1 1 1 1 1 1 1	
-1 1 1 1 1 1 1 1		
+1 1 1 1 1 1 1 1
+1 1 1 1 1 1 1 1
 
 # Offline mode or Online mode to call Materials Project, the value is "no" (default)/"yes"
 mponline no