The ABINIT Users Mailing List ( CLOSED )

[<watermall@126.com>]

Dear abiniters,
    I followed the tutorial(Electron-Phonon interaction) and the original 
tests
runned well under V5.6.3.  However, when I changed the ngkpt to 8 8 8, the
first stage of ground state and second step of merging 2DTE_DDB files runned
well, but the third step of extraction and merging of El-Ph matrix elements
using MRGGKK stopped with the following error.
==================================================================
 Enter name of output file:
 Output                     = telphon_3o_GKK.bin
 Ground State file          = telphon_1o_DS1_WFK
 Number of 1WF files        =    9
 Number of GKK files        =    0
 Total Number of 1WF in GKK =    0

 normal input for GS file
 header echoed to output file
 normal input for 1WF file
 mrggkk: ERROR-
 opening file: telphon_1o_DS3_1WF1 as new

 leave_new : decision taken to exit ...
==================================================================
I did not change the telphon_3.in file. 
Can anybody tell me how to solve this problem?  Thank you in advance.


Cheng YC
Nanjing University
China