ABINIT Discussion Forums

Dear Abinit Users,

I got the Bug when trying to mrgddb files .
at the end of log file the message is



inprep8 : open file GdNo_DS3_DDB
inprep8 : nband(1)= 16
-0.35714285714286D+00 0.50000000000000D+00 0.71428571428571D-01
-0.28571428571429D+00 0.50000000000000D+00 0.14285714285714D+00
-0.21428571428571D+00 0.50000000000000D+00 0.21428571428571D+00
-0.14285714285714D+00 0.50000000000000D+00 0.28571428571429D+00
-0.71428571428571D-01 0.50000000000000D+00 0.35714285714286D+00
0.50000000000000D+00 -0.42857142857143D+00 0.00000000000000D+00
inprep8 : BUG -
Error when reading the psp information
String= -
Action : contact ABINIT group.

.Delivered 0 WARNINGs and 0 COMMENTs to log file.

leave_new : decision taken to exit ...

++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++


i am attaching my log file and the correspong ddb files.

Hoping for Positive Reply

Sanjay D Gupta

More information is needed. There is no way to tell what is going wrong, apart from the very clear mrgddb error message: the pseudopotential data was erroneous on reading in the DDB.

Always follow the forum nettiquette, otherwise you will never get useful answers.

Matthieu