[Pw_forum] Crash with Environ-0.2

Huu Chuong Nguyën hnguyen at ICIQ.ES
Thu Feb 8 14:19:00 CET 2018


I found that if I comment the line

!                    vdw_corr = Grimme-D2, ! DFT-D2 dispersion correction
it works!

There may be some issues between  DFT-D2 and environ-0.2

Best regards,

Dr. Huu Chuong Nguyën (Bob)

Postdoc Researcher - Group of Prof. Núria López

Institute of Chemical Research of Catalonia (ICIQ)
The Barcelona Institute of Science and Technology

Av. Països Catalans 16 - 43007 Tarragona (Spain)

PB-12 Huu Chuong Nguyën - PERSONAL

hnguyen at iciq.es<mailto:user at iciq.es> - www.iciq.es<http://www.iciq.es/>

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