[DFTB-Plus-User] Execution error in Windows...!!! FAILED : Pointer Array Allocation

siddheshwar chopra sidhusai at gmail.com
Sun May 20 19:22:22 CEST 2018


Dear Balint,
I am trying to run DFTB+ on Windows 7. The ground state calculations
(ground state) are running well. But when I am trying to run for excited
state/DFTD3, I am getting the following error:

###############
Processed input in HSD format written to 'dftb_pin.hsd'

Starting initialization...
---------------------------------------------------------------------------
-----
!!! FAILED :   Pointer Array Allocation
!!! ERR. NR.:  5014
!!! FILE:      /home/dftbplus-17.1/prog/dftb+/lib_mixer/broydenmixer.F90
!!! LINE NR.:  128
################

Also, I find libdftd3.a,libarpack*.a inside the folder. Are these already
included in the "dftb+.exe" file?

Please help.

Regards,

-- 
*Dr. Siddheshwar chopra,*


*M.Sc., Ph.D (Physics)Assistant Professor (Physics),*
*Amity University, Noida, India.*
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