How we can build a crystalline structure with Molden?
How we can build a crystalline structure with Molden? Of course if you already have your molecule in a file format that supports and contains crystal information, just read it in to molden. Molden supports the following file formats with crystal information: FDAT, CSSR, (BioSYM) CAR, MSF (QUANTA), Mol2 (Sybyl), ShelX, MSI, CONTCAR (VASP) If you dont have crystal information for your molecule, here
Using Molden with GAUSSIAN
When using Molden with GAUSSIAN 94/98/03 the following keywords are required on the GAUSSIAN 94/98/03 inputfile: #P GFINPUT IOP(6/7=3) #P switches on printing of SCF convergence, GFINPUT switches on printing of Basis Set info, and IOP(6/7=3) switches on printing of all MO's. GAUSSIAN 94/98 per default uses the redundant coordinates optimization procedure resulting in only cartesian coordinates bei
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