UT theoretical chemistry code forum

Thanks for you patient answering! I've changed the setting refering to your suggestion, but the problem still exists. The information concerning to VTST code in OUTCAR is like this: VTST: version 2.03d, (02/18/09) CHAIN: initializing optimizer OPT: Using Quick-Min optimizer OPT: QM, Init OPT: QM, MA...

Dear admin, While my normal NEB was performing, I cannot help but noticed that the cell volume as well as the cell parameter are not changing even if the ISIF tag in INCAR was set to 3. This problem obviously resulted a convergent diffculty for my system. Is there any way to correct this problem or ...