TQSGA

Fortran

TQSGA (INDEXP, VALUE, IWSG, IWSE)

C-interface

tq_gga(TC_INT indexp,TC_FLOAT value,TC_INT* iwsg,TC_INT* iwse);

Full name:

Set Gibbs energy addition.

Purpose:

Add an amount of extra contribution to the Gibbs energy of a phase

Comments:

The extra contribution may be due to elastic strain energy, surface energy, etc.

Arguments

Name

Type

Value set on call or returned

INDEXP

Integer

Set to a phase index.

VALUE

Double precision

Set to the value of extra contribution (J/(mol formula unit)

IWSG

Integer array

Workspace

IWSE

Integer array

Workspace