User contributions for Vaspmaster

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24 April 2014

  • 14:5114:51, 24 April 2014 diff hist +632 N INCREMCreated page with '{{TAGDEF|INCREM|[real array]|0}} Description: {{TAG|INCREM}} controls the transformation velocity in the slow-growth approach (in case VASP was compiled with -Dtbdyn). ---- In […'
  • 10:2710:27, 24 April 2014 diff hist +720 N HILLS BINCreated page with '{{TAGDEF|HILLS_BIN|[Integer]|{{TAG|NSW}}}} Description: {{TAG|HILLS_BIN}} sets the number of steps after which the bias potential is updated in a metadynamics run (in case VASP …'
  • 10:2410:24, 24 April 2014 diff hist 0 HILLS W→‎Related Tags and Sections
  • 10:2110:21, 24 April 2014 diff hist +767 N HILLS WCreated page with '{{TAGDEF|HILLS_W|[Real]|<math>10^{-3}</math>}} Description: {{TAG|HILLS_W}} specifies the width of the Gaussian hill (in units of the corresponding collective variable) used in …'
  • 09:1109:11, 24 April 2014 diff hist +681 N HILLS HCreated page with '{{TAGDEF|HILLS_H|[Real]|<math>10^{-3}</math>}} Description: {{TAG|HILLS_H}} specifies the height of the Gaussian hill (in eV) used in metadynamics (in case VASP was compiled wit…'
  • 08:0808:08, 24 April 2014 diff hist +1 SHAKEMAXITERNo edit summary
  • 08:0708:07, 24 April 2014 diff hist +960 N SHAKEMAXITERCreated page with '{{TAGDEF|SHAKEMAXITER|[Integer]|1000}} Description: {{TAG|SHAKEMAXITER}} specifies the maximum number of iterations in the SHAKE algorithm (in case VASP was compiled with -Dtbdy…'

23 April 2014

19 April 2014

16 April 2014

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