DEMO CODE:
#Differentiation and Integration using Python import sympy as sp #from sympy import * #To change the printing method of SymPy Live sp.init_printing() #Declare symbolic variables explicitly which are to be treated as symbols x = sp.symbols('x') y = sp.symbols('y') #Indefinite Integration integral = sp.integrate('1/sqrt(1-x*x)*1/sqrt(1-(1+x)**2)', x) #Definite integration #integral = sp.integrate('x**2 + x + 1', (x,0,1)) #Pretty print demo sp.pprint(sp.Integral(x**2 + x + 1, x)) print('=') print(integral) #Differentiation derivative = sp.diff('sin(x)', x) print(derivative)
YouTube Tutorial
[wpedon id="7041" align="center"]
sir,
when I am relaxing a system, I actually expect an output file, .xml file and .save folder. but why am i getting .bfgs and .update files along with 40 other pwscf files (40 is number of processors) and output file is not giving the final coordinates. In some cases convergence have been achieved. Please help me