| Reading a frequency calculation output file
If frequency calculation are present in the OUTCAR VASP output file, MOLDRAW
creates the file OUTCAR_FREQ.MOL under the actual directory and
two new options becomes available in the View menu.
For very small unit cells it is hard to understand the vibrational modes as
too few atoms are involved. In these cases go to the Crystal
menu and chose Make Box option. Please also note that,
for the way in which MOLDRAW treats periodicity, the options Make
cell and Make box are inactive.
For further details please refer to the description under by CRYSTAL14 frequencies.
You are here: Home-Navigate-Topics-VASP-Frequencies
Previous Topic: Import output
| 
Navigate · 
Version · 
Topics · 
