Dear Wien2k experts I am reporting this difficulty after going through mailing list and literature review. Kindly guide how can I generate structure file with the following information.
Compound Formula: V3S7Cl Space Group: C mmm#65 Orthorhombic lattice parameters: a=20.6 b=3.8, c=3.9 I need *general structure file* for this compound I will try to remove error associated with RMTs and other initializing parameters by my self. Alternatively, If I select 3 atoms in the structure generation and I insert all the parameters as stated above then I just miss the position of three atoms in the structure file. In order to fill the positions I checked the wycoff psoitions from the Bilbao Crystallographic server but I am unable to understand which position should I give. *If this approach is correct* then kindly just *provide the positions* which I can fill at least ideal positions for this kind of space group so that I can fill and later on I will relax my structure to get actual positons. Kindly do guide. Best Regards Naseem Hassan
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