Dear all users, I am trying to compute the Bader charge analyses with a Gaussian cube file generated from pp.x (Plot_num = 17 and output_format = 6). However, I am getting an error during the execution of Bader program as follows:
GRID BASED BADER ANALYSIS (Version 1.0 01/11/17) OPEN ... G_HCHO.charge GAUSSIAN-STYLE INPUT FILE *forrtl: severe (59): list-directed I/O syntax error, unit 100,* It seems like that the error is coming from my input cube file header. Should I have to edit this pp.x generated cubic file before applying it to Bader program? Please suggest me to resolve this problem. I am attaching the charge density file in Gaussian Cube format for your kind consideration. With thanks and regards, Bibhas Manna G_HCHO.charge <https://drive.google.com/file/d/0B253NW0i7Wl-M2xBdjRTOVlLUEE/view?usp=drive_web>
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