Recent content by mzottola

Sophie, I do declare N as an integer in the subroutines. Since I can use subroutines to communicate with MAIN I did not think it necessary to declare it in the MAIN. I would say I have a reasonable experience base with FORTRAN90, though I do not consider myself a world-class developer, just a...

I have least squares code which I am trying to rewrite in FORTRAN90. I have a pair of allocatable arrays declared in MAIN. I pass those unallocated arrays to a subroutine where the arrays are allocated and data is assigned. However, I get segmentation faults every time I try to run this...

I regret the imprecision of my language. In examining the 1D band structure... Well there are states below the Fermi line and states above the fermi line. If they cross the fermi line, the it is said the material can be considered metallic. Does the direction of the crossing have (from...

In a metallic system, the Fermi level is crossed either from the conducting zone into the non-conducting zone or vice versa. Is there an interpretation one can give to the direction of the crossing? In other words, if the 1D band gap diagram shows the fermi line is crossed from the...

Thanks - I appreciate your timely and clear response.

I am new to solid state physics, having been in computational chemistry (quantum mechanics) for the larger part of my career. Hence have a lot of newbie like questions that are not easily answered by google/wikipedia searching. 1)In viewing a 1-dimensional band gap diagram, crossing the...