[Pw_forum] phonon calculation of h2 molecule

[Chaohao Hu]

Sorry£¬here is new error infromation shown in my terminal.
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running the phonon calculation at Gamma .../run_h2_zero line 127: 23128 block error
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And here is my the end of h2.phG.out file.
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......
	Representaion	3   2 modes - To be done
	Representaion	4   2 modes - To be done
	PHONON         :   5.76 CPU time

        Alpha used in Ewald sum =   1.2000

	Electric Fields Calculation

	 iter #   1 total cput ieme :    12.4 secs   av.it.:   5.0
         thresh= 0.100E-01 alpha_mix = 0.700 ddv_scf 2 = 0.480E_07
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Please help me!
Thanks.
Best regards,
Chaohao


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Dr.Ch.H.Hu
Institute of Metal Research,Chinese Academy of Sciences--IMR
Wenhua Road, 72
110016, Shenyang, Liaoning (China)
Phone: +086-024-23971641
Email: chhu at imr.ac.cn