[Pw_forum] How to get the interatomic force constant tensor?

jin li lijin.phy at gmail.com
Tue Mar 17 02:33:38 CET 2009


Dear all:
       Following the example 06, alas444.fc has been got. Would
somebody give me some explaination about this file? And customarily,
the IFC matrix is
[ K11  K12  K13 ... K1N ]
[ K21  K22  K23 ... K2N ]
[ ....                       ...   ]
[ KN1  KN2  KN3 ...KNN]
How to transform this IFC in this file to the above form?
Best wishes,
lijin



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