Dear wien2k users, I have tried to simulate force optimization of a spinel cubic compound. Prior to this volume optimization has been run & without getting any error. However, while the volume optimized struct file (just changes the lattice parameter to the newly optimized parameter & kept every other things intact) was used in initilization, during 'dstart' the following error appears,
forrtl: severe (24): end-of-file during read, unit 81, file /home/wien2k/Desktop/Wien_Computations/Aditya/MNT_f/MNT_f.rsp Image PC Routine Line Source dstart 0000000000456786 Unknown Unknown Unknown dstart 000000000040F74E init_ 132 init.F dstart 000000000040E4B1 MAIN__ 15 dstart.F dstart 0000000000403A36 Unknown Unknown Unknown libc.so.6 0000003FE5E1ED5D Unknown Unknown Unknown dstart 0000000000403929 Unknown Unknown Unknown 0.006u 0.003s 0:00.04 0.0% 0+0k 0+32io 0pf+0w error: command /home/wien2k/Wien2k_5_7_2015/WIEN2k/dstart dstart.def failed It appears that there is some problem in case.rsp file. Any response in this regard is highly appreciated. 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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