The ABINIT Users Mailing List ( CLOSED )

["Zhenhua Zeng" <myid520@163.com>]

Remove telphon_3o_GKK.bin firstly,
then mrggkk < telphon_3.in.
I think this will be ok.

Best Wishes                      
Zhenhua Zeng

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From：watermall
sent:：2008-11-30 20:48:37
To：forum@abinit.org
Subject：[abinit-forum] mrggkk error in el-phon calculation

>
>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
>No virus found in this incoming message.
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>18:52
S
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