[CPMD-list] Monitoring Pressure

[sdecker]

Hi,

    I am currently using CPMD to examine the properties of compressed liquids and I would like to know how to monitor the pressure during the NVT simulations?  In a previous version of CPMD, 3.3a, you could use the STRESS keyword to print out the entire stress tensor every nth MD step, however, it appears that this keyword has been disabled in newer releases of CPMD.  

    Any help would be greatly appreciated.  

    Thanks in advance,

    Stephen Decker

_________________________________________________

 Dr. Stephen A. Decker, Ph.D.
 NSERC Postdoctoral Fellow

 Department of Chemistry  
 University of Western Ontario
 London, Ontario,  Canada
 N6A 5B7

 phone: (519)-661-2111 ext. 86353          
 fax:      (519)-661-3022
 email:  sdecker at uwo.ca
_________________________________________________

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