[Wien] SuperCell Configuration_RHFS Error during lstart

2011-05-20 Thread Ghosh SUDDHASATTWA
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[Wien] STOP: YOU MUST MOVE THE ORIGIN OF THE UNIT CELL (see K2UCl5_SC.outputs )

2011-05-20 Thread Ghosh SUDDHASATTWA
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[Wien] STOP: YOU MUST MOVE THE ORIGIN OF THE UNIT CELL (see K2UCl5_SC.outputs )

2011-05-20 Thread Stefaan Cottenier
The mailing list should be your last resort to solve problems, not your first. In this case, you should do what the message suggests: STOP: YOU MUST MOVE THE ORIGIN OF THE UNIT CELL (see K2UCl5_SC.outputs ) Because that answers your question: Can you please suggest what I have to do for

[Wien] STOP: YOU MUST MOVE THE ORIGIN OF THE UNIT CELL (see K2UCl5_SC.outputs )

2011-05-20 Thread Ghosh SUDDHASATTWA
Thanks Stefaan, The case.outputs says PGLSYM: THE CRYSTAL SYSTEM IS ORTHORHOMBIC PGLSYM: ORDER OF LATTICE POINT GROUP (NO BASE) = 8 PGBSYM: ORDER OF LATTICE SPACE GROUP (WITH BASE) = 8 PGBSYM: NON-SYMMORPHIC SPACE GROUP OR NON-STANDARD ORIGIN OF COORDINATES PGBSYM:

[Wien] e-mails

2011-05-20 Thread Renata Wentzcovitch
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