[Wien] Error in running volume optimization

shamik chakrabarti shamikphy at gmail.com
Tue Mar 15 12:48:35 CET 2016


Dear wien2k users,

                    While running a simulation of a heusler alloy CoFeTiGe,
the GGA calculation was completed successfully. However, while the same
structure file was fed to volume optimization error appears.

The struct file are also sent as attached file herewith this mail,

Any response in this regard will be helpful for us. Thanks in advance.

with regards,

-- 
Dr. Shamik Chakrabarti
Research Associate
Electroceramics Lab
Dept. of Metallurgical & Materials Engineering
IIT Kharagpur
Kharagpur 721302
INDIA
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