I am attempting to write values obtained in a nested Do loop inside a fortran Module (dftd3_module in core.f90 which is part of the large Quantum Espresso package). The Module is called by a subroutine A. Subroutine A is called by subroutine B which is called by the main program. When I run the main…

WRITE from a Module in a Subroutine

whuhn June 27, 2022, 3:23pm 8

My immediate suspicion then is your do loop nest, check what the values for rep_vdw are with beforehand.

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