TmoleX - general topics

Topics

<< < (4/5) > >>

[1] Frequency calculations crush for larger molecules

[2] Multidimensional PES Scan

[3] PES scans only in Cartesians and stop after 1st point

[4] how to set the number of CPU

[5] Where can it be found?

[6] queuing systems

[7] some remarks

[8] COSMO frequency calculations in tmoleX

[9] MISSING SPECIFICATION: specify $scfinstab rpas or rpat or urpa...

Navigation

[0] Up one level

[#] Next page

[*] Previous page